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

C14H20N2O3S — CID 75277368

IUPAC4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17)
InChIKeyBCEUUNKKXUMFST-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.26
Rot. Bonds4

About 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide (PubChem CID 75277368) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
PubChem CID75277368
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17)
InChIKeyBCEUUNKKXUMFST-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

3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 103308923
2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308898
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112521990
(3aS,6aR)-N-(benzenesulfonyl)-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 166291996
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide
CID 79526551
2-[2-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]acetic acid
CID 57066240
4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide
CID 79527550
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide (CID 75277368) is 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The InChIKey is BCEUUNKKXUMFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
4-(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 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75277368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).