N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide

C19H23N5O2S — CID 67998187

IUPACN-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC12CCC(c3cnc4cnc5[nH]ccc5n34)(CC1)CC2)C1CC1
InChIInChI=1S/C19H23N5O2S/c25-27(26,13-1-2-13)23-19-7-4-18(5-8-19,6-9-19)15-11-21-16-12-22-17-14(24(15)16)3-10-20-17/h3,10-13,20,23H,1-2,4-9H2
InChIKeyLKWSDDKRXPFIND-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.64
Rot. Bonds4

About N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide

N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide (PubChem CID 67998187) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide
PubChem CID67998187
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC12CCC(c3cnc4cnc5[nH]ccc5n34)(CC1)CC2)C1CC1
InChIInChI=1S/C19H23N5O2S/c25-27(26,13-1-2-13)23-19-7-4-18(5-8-19,6-9-19)15-11-21-16-12-22-17-14(24(15)16)3-10-20-17/h3,10-13,20,23H,1-2,4-9H2
InChIKeyLKWSDDKRXPFIND-UHFFFAOYSA-N
XLogP2.64
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide (CID 67998187) is N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide is O=S(=O)(NC12CCC(c3cnc4cnc5[nH]ccc5n34)(CC1)CC2)C1CC1.
What is the InChIKey of N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide?
The InChIKey is LKWSDDKRXPFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c25-27(26,13-1-2-13)23-19-7-4-18(5-8-19,6-9-19)15-11-21-16-12-22-17-14(24(15)16)3-10-20-17/h3,10-13,20,23H,1-2,4-9H2.
What are the key properties of N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide?
N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]cyclopropanesulfonamide is sourced from PubChem (CID 67998187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).