1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide

C13H20N2OS — CID 113310541

IUPAC1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2ccsc2)CC1
InChIInChI=1S/C13H20N2OS/c1-10-2-5-13(9-14,6-3-10)12(16)15-11-4-7-17-8-11/h4,7-8,10H,2-3,5-6,9,14H2,1H3,(H,15,16)
InChIKeyANSDWSOFNYMNGA-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.84
Rot. Bonds3

About 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide (PubChem CID 113310541) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
PubChem CID113310541
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2ccsc2)CC1
InChIInChI=1S/C13H20N2OS/c1-10-2-5-13(9-14,6-3-10)12(16)15-11-4-7-17-8-11/h4,7-8,10H,2-3,5-6,9,14H2,1H3,(H,15,16)
InChIKeyANSDWSOFNYMNGA-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide
CID 115453472
4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
CID 120933240
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 115441440
1-(aminomethyl)-N-(3-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441349
1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441642
1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115441970

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide (CID 113310541) is 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)Nc2ccsc2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide?
The InChIKey is ANSDWSOFNYMNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-2-5-13(9-14,6-3-10)12(16)15-11-4-7-17-8-11/h4,7-8,10H,2-3,5-6,9,14H2,1H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 113310541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).