2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H22N2O3S — CID 64816725

IUPAC2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H22N2O3S/c1-10(8-11-6-7-21-9-11)16-15(20)17-13-5-3-2-4-12(13)14(18)19/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIUWHAYWAIQMBEV-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.62
Rot. Bonds5

About 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64816725) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID64816725
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H22N2O3S/c1-10(8-11-6-7-21-9-11)16-15(20)17-13-5-3-2-4-12(13)14(18)19/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIUWHAYWAIQMBEV-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816532
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79215973
2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61475485
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
2-(1-thiophen-3-ylpropan-2-ylamino)cyclopentan-1-ol
CID 61473631
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 64816725) is 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CC(Cc1ccsc1)NC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IUWHAYWAIQMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(8-11-6-7-21-9-11)16-15(20)17-13-5-3-2-4-12(13)14(18)19/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).