cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid

C12H21NO4S — CID 114173300

IUPACcis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NS(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H21NO4S/c14-12(15)9-6-7-10(8-9)13-18(16,17)11-4-2-1-3-5-11/h9-11,13H,1-8H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyDSYVCTJBGGWFBA-ZJUUUORDSA-N
MW275.37 g/mol
LogP1.49
Rot. Bonds4

About cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 114173300) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID114173300
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Namecis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NS(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H21NO4S/c14-12(15)9-6-7-10(8-9)13-18(16,17)11-4-2-1-3-5-11/h9-11,13H,1-8H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyDSYVCTJBGGWFBA-ZJUUUORDSA-N
XLogP1.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
CID 166513762
N-(4-bromocyclohexyl)cyclohexanesulfonamide
CID 114295814
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032155
N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
CID 115277356
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60807922
(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 67998853
(1S,2R,4S)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010069
3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63042575
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
CID 112753043

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid (CID 114173300) is cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DSYVCTJBGGWFBA-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-12(15)9-6-7-10(8-9)13-18(16,17)11-4-2-1-3-5-11/h9-11,13H,1-8H2,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).