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

C13H22N4O2S — CID 97405489

IUPACN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn2c1CN(CC1CC1)CCC2
InChIInChI=1S/C13H22N4O2S/c1-20(18,19)15-7-12-13-9-16(8-11-3-4-11)5-2-6-17(13)10-14-12/h10-11,15H,2-9H2,1H3
InChIKeyHMLVKACLRDIEJS-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.55
Rot. Bonds5

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

N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (PubChem CID 97405489) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
PubChem CID97405489
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn2c1CN(CC1CC1)CCC2
InChIInChI=1S/C13H22N4O2S/c1-20(18,19)15-7-12-13-9-16(8-11-3-4-11)5-2-6-17(13)10-14-12/h10-11,15H,2-9H2,1H3
InChIKeyHMLVKACLRDIEJS-UHFFFAOYSA-N
XLogP0.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (CID 97405489) is N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ncn2c1CN(CC1CC1)CCC2.
What is the InChIKey of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The InChIKey is HMLVKACLRDIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-20(18,19)15-7-12-13-9-16(8-11-3-4-11)5-2-6-17(13)10-14-12/h10-11,15H,2-9H2,1H3.
What are the key properties of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97405489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).