4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid

C14H20N2O5S2 — CID 119230364

IUPAC4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O5S2/c1-9(16-23(20,21)12-3-2-8-22-12)13(17)15-11-6-4-10(5-7-11)14(18)19/h2-3,8-11,16H,4-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyQGNLLWXGRGULMI-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.17
Rot. Bonds6

About 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid

4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119230364) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119230364
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O5S2/c1-9(16-23(20,21)12-3-2-8-22-12)13(17)15-11-6-4-10(5-7-11)14(18)19/h2-3,8-11,16H,4-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyQGNLLWXGRGULMI-UHFFFAOYSA-N
XLogP1.17
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925
N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 119610735
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 120944970
2-methyl-2-[2-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 119199790
4-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122007237
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
2-[2-(thiophen-2-ylsulfonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196202
4-[[2-(thiophen-2-ylsulfonylamino)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542107

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid (CID 119230364) is 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid is CC(NS(=O)(=O)c1cccs1)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QGNLLWXGRGULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-9(16-23(20,21)12-3-2-8-22-12)13(17)15-11-6-4-10(5-7-11)14(18)19/h2-3,8-11,16H,4-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).