1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H14ClNO3S — CID 43239137

IUPAC1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClNO3S/c13-9-5-4-8(18-9)10(15)14-12(11(16)17)6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,14,15)(H,16,17)
InChIKeyVZFMZYMKBVSYQY-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.92
Rot. Bonds3

About 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43239137) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43239137
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClNO3S/c13-9-5-4-8(18-9)10(15)14-12(11(16)17)6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,14,15)(H,16,17)
InChIKeyVZFMZYMKBVSYQY-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450610
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341656
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
1-[(4,5-dibromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239155
1-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56799138
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43239137) is 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VZFMZYMKBVSYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c13-9-5-4-8(18-9)10(15)14-12(11(16)17)6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 287.77 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43239137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).