1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid

C15H21NO3S — CID 120539458

IUPAC1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCc1ccsc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-16(13(17)6-5-12-7-10-20-11-12)15(14(18)19)8-3-2-4-9-15/h7,10-11H,2-6,8-9H2,1H3,(H,18,19)
InChIKeyWKJRICKPZKDUQA-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.93
Rot. Bonds5

About 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid

1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120539458) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120539458
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCc1ccsc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-16(13(17)6-5-12-7-10-20-11-12)15(14(18)19)8-3-2-4-9-15/h7,10-11H,2-6,8-9H2,1H3,(H,18,19)
InChIKeyWKJRICKPZKDUQA-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528
1-[methyl(4-thiophen-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120540062
1-[[2-(4-hydroxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540141
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43527993
1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 120540070
1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid
CID 120539314
1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 116558832
1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539260
1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539722
1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539581
N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974767

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid (CID 120539458) is 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)CCc1ccsc1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WKJRICKPZKDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-16(13(17)6-5-12-7-10-20-11-12)15(14(18)19)8-3-2-4-9-15/h7,10-11H,2-6,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).