N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide

C17H31N3O3S — CID 24998697

IUPACN-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCS(=O)(=O)N1CCCN(CC(=O)N(C2CCCCC2)C2CC2)CC1
InChIInChI=1S/C17H31N3O3S/c1-24(22,23)19-11-5-10-18(12-13-19)14-17(21)20(16-8-9-16)15-6-3-2-4-7-15/h15-16H,2-14H2,1H3
InChIKeyOGCHIPQUGMHKSM-UHFFFAOYSA-N
MW357.52 g/mol
LogP1.28
Rot. Bonds5

About N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide

N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide (PubChem CID 24998697) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
PubChem CID24998697
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC NameN-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCS(=O)(=O)N1CCCN(CC(=O)N(C2CCCCC2)C2CC2)CC1
InChIInChI=1S/C17H31N3O3S/c1-24(22,23)19-11-5-10-18(12-13-19)14-17(21)20(16-8-9-16)15-6-3-2-4-7-15/h15-16H,2-14H2,1H3
InChIKeyOGCHIPQUGMHKSM-UHFFFAOYSA-N
XLogP1.28
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55680227
N-cyclopentyl-N-cyclopropyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110872931
N,N-dicyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 94191195
N-cyclopentyl-N-cyclopropyl-2-(3-ethylpiperidin-1-yl)acetamide
CID 78897689
N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 86842773
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
N-cyclopentyl-N-cyclopropyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020360
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
2-[4-(chloromethylsulfonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55246213
N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 61355697

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide (CID 24998697) is N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide is CS(=O)(=O)N1CCCN(CC(=O)N(C2CCCCC2)C2CC2)CC1.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is OGCHIPQUGMHKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-24(22,23)19-11-5-10-18(12-13-19)14-17(21)20(16-8-9-16)15-6-3-2-4-7-15/h15-16H,2-14H2,1H3.
What are the key properties of N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 24998697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).