1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C15H22N2OS — CID 54870594

IUPAC1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)N(Cc2cccs2)C2CC2)CCCCC1
InChIInChI=1S/C15H22N2OS/c16-15(8-2-1-3-9-15)14(18)17(12-6-7-12)11-13-5-4-10-19-13/h4-5,10,12H,1-3,6-9,11,16H2
InChIKeyAATKPMWCEXBYRR-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.90
Rot. Bonds4

About 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 54870594) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID54870594
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)N(Cc2cccs2)C2CC2)CCCCC1
InChIInChI=1S/C15H22N2OS/c16-15(8-2-1-3-9-15)14(18)17(12-6-7-12)11-13-5-4-10-19-13/h4-5,10,12H,1-3,6-9,11,16H2
InChIKeyAATKPMWCEXBYRR-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

3-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 64892349
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 80599455
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61449689
1-amino-N-cyclopentyl-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 60940015
N-cyclopropyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709323
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 81172415
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
1-cyclopropyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 97235728

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 54870594) is 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is NC1(C(=O)N(Cc2cccs2)C2CC2)CCCCC1.
What is the InChIKey of 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is AATKPMWCEXBYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-15(8-2-1-3-9-15)14(18)17(12-6-7-12)11-13-5-4-10-19-13/h4-5,10,12H,1-3,6-9,11,16H2.
What are the key properties of 1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
1-amino-N-cyclopropyl-N-(thiophen-2-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-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54870594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).