N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide

C18H23N5O2S — CID 58395401

IUPACN-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2
InChIInChI=1S/C18H23N5O2S/c1-26(24,25)21-7-5-16-22-14-10-20-18-13(4-6-19-18)17(14)23(16)15-9-11-2-3-12(15)8-11/h4,6,10-12,15,21H,2-3,5,7-9H2,1H3,(H,19,20)
InChIKeyUTCQOVZSZNFTKB-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.37
Rot. Bonds5

About N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide

N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide (PubChem CID 58395401) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide
PubChem CID58395401
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2
InChIInChI=1S/C18H23N5O2S/c1-26(24,25)21-7-5-16-22-14-10-20-18-13(4-6-19-18)17(14)23(16)15-9-11-2-3-12(15)8-11/h4,6,10-12,15,21H,2-3,5,7-9H2,1H3,(H,19,20)
InChIKeyUTCQOVZSZNFTKB-UHFFFAOYSA-N
XLogP2.37
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide (CID 58395401) is N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2.
What is the InChIKey of N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide?
The InChIKey is UTCQOVZSZNFTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-26(24,25)21-7-5-16-22-14-10-20-18-13(4-6-19-18)17(14)23(16)15-9-11-2-3-12(15)8-11/h4,6,10-12,15,21H,2-3,5,7-9H2,1H3,(H,19,20).
What are the key properties of N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide?
N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 58395401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).