cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C12H16N2O5S2 — CID 120678188

IUPACcis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNS(=O)(=O)c1csc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C12H16N2O5S2/c1-13-21(18,19)9-5-10(20-6-9)11(15)14-8-3-2-7(4-8)12(16)17/h5-8,13H,2-4H2,1H3,(H,14,15)(H,16,17)/t7-,8+/m1/s1
InChIKeyAEPYFMLHFGJABV-SFYZADRCSA-N
MW332.40 g/mol
LogP0.64
Rot. Bonds5

About cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678188) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678188
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Namecis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCNS(=O)(=O)c1csc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C12H16N2O5S2/c1-13-21(18,19)9-5-10(20-6-9)11(15)14-8-3-2-7(4-8)12(16)17/h5-8,13H,2-4H2,1H3,(H,14,15)(H,16,17)/t7-,8+/m1/s1
InChIKeyAEPYFMLHFGJABV-SFYZADRCSA-N
XLogP0.64
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 136512530
cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674746
5-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 96527844
N-(2-amino-2-methylpropyl)-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 119630138
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
CID 119651771
5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 124595434
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 119448759
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120678188) is cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is CNS(=O)(=O)c1csc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AEPYFMLHFGJABV-SFYZADRCSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-13-21(18,19)9-5-10(20-6-9)11(15)14-8-3-2-7(4-8)12(16)17/h5-8,13H,2-4H2,1H3,(H,14,15)(H,16,17)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).