N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide

C17H28N2O3S — CID 129331617

IUPACN-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19(15-8-4-9-15)16-10-5-12-18(13-11-16)17(20)14-6-2-3-7-14/h2-3,14-16H,4-13H2,1H3/t16-/m1/s1
InChIKeyCGFYLRFUTSVENW-MRXNPFEDSA-N
MW340.49 g/mol
LogP2.15
Rot. Bonds4

About N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide

N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide (PubChem CID 129331617) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide
PubChem CID129331617
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19(15-8-4-9-15)16-10-5-12-18(13-11-16)17(20)14-6-2-3-7-14/h2-3,14-16H,4-13H2,1H3/t16-/m1/s1
InChIKeyCGFYLRFUTSVENW-MRXNPFEDSA-N
XLogP2.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-N-[(4S)-1-[2-[cyclopropyl(ethyl)amino]acetyl]azepan-4-yl]methanesulfonamide
CID 129333764
cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone
CID 71929830
N-cyclobutyl-N-[(4R)-1-(3-methylbenzoyl)azepan-4-yl]methanesulfonamide
CID 129333224
N,N-dicyclopentylmethanesulfonamide
CID 71097548
N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide
CID 128992384
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200728
2-[4-[cyclobutyl(methylsulfonyl)amino]azepan-1-yl]acetamide
CID 128995558
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
CID 64767643
4-[cyclobutyl(methylsulfonyl)amino]-N-(oxolan-3-ylmethyl)azepane-1-carboxamide
CID 129002871
cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 113283403

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide (CID 129331617) is N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide is CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)C2CC=CC2)CC1.
What is the InChIKey of N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide?
The InChIKey is CGFYLRFUTSVENW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-23(21,22)19(15-8-4-9-15)16-10-5-12-18(13-11-16)17(20)14-6-2-3-7-14/h2-3,14-16H,4-13H2,1H3/t16-/m1/s1.
What are the key properties of N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide?
N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 129331617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).