N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide

C14H22N4O3S — CID 118740791

IUPACN-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide
SMILESCCS(=O)(=O)N1Cc2cncn2CC(C(=O)NCC2CC2)C1
InChIInChI=1S/C14H22N4O3S/c1-2-22(20,21)18-8-12(14(19)16-5-11-3-4-11)7-17-10-15-6-13(17)9-18/h6,10-12H,2-5,7-9H2,1H3,(H,16,19)
InChIKeyFGYXZWCAZATECA-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.19
Rot. Bonds5

About N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide

N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide (PubChem CID 118740791) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide
PubChem CID118740791
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide
SMILESCCS(=O)(=O)N1Cc2cncn2CC(C(=O)NCC2CC2)C1
InChIInChI=1S/C14H22N4O3S/c1-2-22(20,21)18-8-12(14(19)16-5-11-3-4-11)7-17-10-15-6-13(17)9-18/h6,10-12H,2-5,7-9H2,1H3,(H,16,19)
InChIKeyFGYXZWCAZATECA-UHFFFAOYSA-N
XLogP0.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide (CID 118740791) is N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide is CCS(=O)(=O)N1Cc2cncn2CC(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide?
The InChIKey is FGYXZWCAZATECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-2-22(20,21)18-8-12(14(19)16-5-11-3-4-11)7-17-10-15-6-13(17)9-18/h6,10-12H,2-5,7-9H2,1H3,(H,16,19).
What are the key properties of N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide?
N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6-carboxamide is sourced from PubChem (CID 118740791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).