1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide

C15H22N2OS — CID 61167976

IUPAC1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)N(Cc2ccsc2)C2CC2)CCCCC1
InChIInChI=1S/C15H22N2OS/c16-15(7-2-1-3-8-15)14(18)17(13-4-5-13)10-12-6-9-19-11-12/h6,9,11,13H,1-5,7-8,10,16H2
InChIKeyKDHACJOVRWNOKI-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.90
Rot. Bonds4

About 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide

1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 61167976) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID61167976
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)N(Cc2ccsc2)C2CC2)CCCCC1
InChIInChI=1S/C15H22N2OS/c16-15(7-2-1-3-8-15)14(18)17(13-4-5-13)10-12-6-9-19-11-12/h6,9,11,13H,1-5,7-8,10,16H2
InChIKeyKDHACJOVRWNOKI-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 76921336
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 55165151
1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 81172415
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 64550653
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide (CID 61167976) is 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide is NC1(C(=O)N(Cc2ccsc2)C2CC2)CCCCC1.
What is the InChIKey of 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is KDHACJOVRWNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-15(7-2-1-3-8-15)14(18)17(13-4-5-13)10-12-6-9-19-11-12/h6,9,11,13H,1-5,7-8,10,16H2.
What are the key properties of 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61167976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).