2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid

C14H20N2O5S2 — CID 120545878

IUPAC2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CNS(=O)(=O)c2cccs2)CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O5S2/c1-14(7-3-2-5-10(14)13(18)19)16-11(17)9-15-23(20,21)12-6-4-8-22-12/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyFNGUFEWOHAXLGT-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.18
Rot. Bonds6

About 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid

2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120545878) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120545878
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CNS(=O)(=O)c2cccs2)CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O5S2/c1-14(7-3-2-5-10(14)13(18)19)16-11(17)9-15-23(20,21)12-6-4-8-22-12/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyFNGUFEWOHAXLGT-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 51123545
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55980989
2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545686
4-methyl-1-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441094
N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
4-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]pentanoic acid
CID 119188469
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 60556582
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid (CID 120545878) is 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid is CC1(NC(=O)CNS(=O)(=O)c2cccs2)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FNGUFEWOHAXLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-14(7-3-2-5-10(14)13(18)19)16-11(17)9-15-23(20,21)12-6-4-8-22-12/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).