2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide

C14H20N2O3S — CID 103308898

IUPAC2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c15-10-11-6-4-5-9-13(11)14(17)16-20(18,19)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10,15H2,(H,16,17)
InChIKeyDADLWXWQHUUXHM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.26
Rot. Bonds4

About 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide

2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide (PubChem CID 103308898) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
PubChem CID103308898
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c15-10-11-6-4-5-9-13(11)14(17)16-20(18,19)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10,15H2,(H,16,17)
InChIKeyDADLWXWQHUUXHM-UHFFFAOYSA-N
XLogP1.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 75277368
2-(aminomethyl)-N-cyclopropylsulfonylcyclopentane-1-carboxamide
CID 103308242
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
[2-(benzenesulfonyl)cycloheptyl]methanamine
CID 64698780
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 103308923
N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide
CID 177217614
2-(aminomethyl)-N-(2-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 79043281
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
CID 89441344
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide (CID 103308898) is 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide is NCC1CCCCC1C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The InChIKey is DADLWXWQHUUXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-10-11-6-4-5-9-13(11)14(17)16-20(18,19)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10,15H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103308898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).