N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide

C18H29N3O6S — CID 171598168

IUPACN-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN2C(=O)COC(=O)N(C3CC3)C3CCC(CC3)OCC12
InChIInChI=1S/C18H29N3O6S/c1-28(24,25)19-15-8-9-20-16(15)10-26-14-6-4-13(5-7-14)21(12-2-3-12)18(23)27-11-17(20)22/h12-16,19H,2-11H2,1H3/t13?,14?,15-,16?/m0/s1
InChIKeyPIPQORZVKBUOBS-UFFJXHMVSA-N
MW415.51 g/mol
LogP0.45
Rot. Bonds3

About N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide

N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide (PubChem CID 171598168) has the molecular formula C18H29N3O6S and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide
PubChem CID171598168
Molecular FormulaC18H29N3O6S
Molecular Weight415.51 g/mol
Exact Mass415.18
IUPAC NameN-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN2C(=O)COC(=O)N(C3CC3)C3CCC(CC3)OCC12
InChIInChI=1S/C18H29N3O6S/c1-28(24,25)19-15-8-9-20-16(15)10-26-14-6-4-13(5-7-14)21(12-2-3-12)18(23)27-11-17(20)22/h12-16,19H,2-11H2,1H3/t13?,14?,15-,16?/m0/s1
InChIKeyPIPQORZVKBUOBS-UFFJXHMVSA-N
XLogP0.45
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5S)-10,13-dioxo-14-(2,2,2-trifluoroethyl)-2,12-dioxa-9,14-diazatricyclo[13.2.2.04,9]nonadecan-5-yl]methanesulfonamide
CID 171598166
N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide
CID 167117575
N-[(17S)-13-oxo-11,20-dioxa-6,7,14-triazapentacyclo[19.2.2.02,10.04,8.014,18]pentacosa-2(10),3,5,8-tetraen-17-yl]methanesulfonamide
CID 166146039
N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117665
N-[(15S,16R)-5-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]methanesulfonamide
CID 167145840
N-[(18S)-13-oxo-11,21-dioxa-7,9,14-triaza-4-azoniapentacyclo[20.2.2.02,10.04,8.014,19]hexacosa-2,4,7,9-tetraen-18-yl]methanesulfonamide
CID 171608098
N-[(14S)-4,6-difluoro-10-oxo-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-trien-14-yl]propane-2-sulfonamide
CID 167117671
N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]cyclopropanesulfonamide
CID 164553255
N-[(15S)-10-oxo-18-oxa-8,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 156687861
N-[(2S,8R,9S)-14-oxo-6,18-dioxa-13-azatetracyclo[17.3.1.12,5.08,13]tetracosa-1(23),19,21-trien-9-yl]methanesulfonamide
CID 170655711
N-[(1R,15S,19S,20S,21R,22S)-1,20,21,22-tetradeuterio-4,6-difluoro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]methanesulfonamide
CID 156687881
N-[(5S)-13-(cyclopropylmethyl)-9,12-dioxo-2,11-dioxa-13-azatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide
CID 171598153

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide?
The IUPAC name of N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide (CID 171598168) is N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide?
The canonical SMILES for N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCN2C(=O)COC(=O)N(C3CC3)C3CCC(CC3)OCC12.
What is the InChIKey of N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide?
The InChIKey is PIPQORZVKBUOBS-UFFJXHMVSA-N. The full InChI is InChI=1S/C18H29N3O6S/c1-28(24,25)19-15-8-9-20-16(15)10-26-14-6-4-13(5-7-14)21(12-2-3-12)18(23)27-11-17(20)22/h12-16,19H,2-11H2,1H3/t13?,14?,15-,16?/m0/s1.
What are the key properties of N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide?
N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide has a molecular weight of 415.51 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-13-cyclopropyl-9,12-dioxo-2,11-dioxa-8,13-diazatricyclo[12.2.2.04,8]octadecan-5-yl]methanesulfonamide is sourced from PubChem (CID 171598168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).