N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

C15H27N5O2S — CID 97405494

IUPACN-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn2c1CN(CCN1CCCC1)CCC2
InChIInChI=1S/C15H27N5O2S/c1-23(21,22)17-11-14-15-12-19(7-4-8-20(15)13-16-14)10-9-18-5-2-3-6-18/h13,17H,2-12H2,1H3
InChIKeyOAIIBGCJQJCUHX-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.23
Rot. Bonds6

About N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (PubChem CID 97405494) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
PubChem CID97405494
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC NameN-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn2c1CN(CCN1CCCC1)CCC2
InChIInChI=1S/C15H27N5O2S/c1-23(21,22)17-11-14-15-12-19(7-4-8-20(15)13-16-14)10-9-18-5-2-3-6-18/h13,17H,2-12H2,1H3
InChIKeyOAIIBGCJQJCUHX-UHFFFAOYSA-N
XLogP0.23
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (CID 97405494) is N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ncn2c1CN(CCN1CCCC1)CCC2.
What is the InChIKey of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The InChIKey is OAIIBGCJQJCUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-23(21,22)17-11-14-15-12-19(7-4-8-20(15)13-16-14)10-9-18-5-2-3-6-18/h13,17H,2-12H2,1H3.
What are the key properties of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97405494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).