1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C12H13Cl2NO3S — CID 113263350

IUPAC1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H13Cl2NO3S/c13-8-5-7(9(14)19-8)10(16)15-6-12(11(17)18)3-1-2-4-12/h5H,1-4,6H2,(H,15,16)(H,17,18)
InChIKeyRDLLWKJXILZSAW-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.43
Rot. Bonds4

About 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113263350) has the molecular formula C12H13Cl2NO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113263350
Molecular FormulaC12H13Cl2NO3S
Molecular Weight322.21 g/mol
Exact Mass321.00
IUPAC Name1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H13Cl2NO3S/c13-8-5-7(9(14)19-8)10(16)15-6-12(11(17)18)3-1-2-4-12/h5H,1-4,6H2,(H,15,16)(H,17,18)
InChIKeyRDLLWKJXILZSAW-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107959705
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309086
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
1-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309059
1-[[(2-chloro-3-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435717
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 113263350) is 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RDLLWKJXILZSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3S/c13-8-5-7(9(14)19-8)10(16)15-6-12(11(17)18)3-1-2-4-12/h5H,1-4,6H2,(H,15,16)(H,17,18).
What are the key properties of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 322.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113263350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).