N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide

C15H22N2O2S — CID 142996986

IUPACN-(benzenesulfinyl)-1-ethylazepane-4-carboxamide
SMILESCCN1CCCC(C(=O)NS(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2S/c1-2-17-11-6-7-13(10-12-17)15(18)16-20(19)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,16,18)
InChIKeyIKDVHESMPPSKMY-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.95
Rot. Bonds4

About N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide

N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide (PubChem CID 142996986) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfinyl)-1-ethylazepane-4-carboxamide
PubChem CID142996986
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(benzenesulfinyl)-1-ethylazepane-4-carboxamide
SMILESCCN1CCCC(C(=O)NS(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2S/c1-2-17-11-6-7-13(10-12-17)15(18)16-20(19)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,16,18)
InChIKeyIKDVHESMPPSKMY-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142846441
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CID 65073911
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 143288729
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea
CID 3806020
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide?
The IUPAC name of N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide (CID 142996986) is N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide.
What is the SMILES notation for N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide?
The canonical SMILES for N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide is CCN1CCCC(C(=O)NS(=O)c2ccccc2)CC1.
What is the InChIKey of N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide?
The InChIKey is IKDVHESMPPSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-17-11-6-7-13(10-12-17)15(18)16-20(19)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,16,18).
What are the key properties of N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide?
N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide is sourced from PubChem (CID 142996986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).