cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid

C10H19NO4S — CID 106321503

IUPACcis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-7(2)6-16(14,15)11-9-4-3-8(5-9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyDXEJAFQGXVXWEZ-BDAKNGLRSA-N
MW249.33 g/mol
LogP0.82
Rot. Bonds5

About cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 106321503) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID106321503
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namecis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-7(2)6-16(14,15)11-9-4-3-8(5-9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyDXEJAFQGXVXWEZ-BDAKNGLRSA-N
XLogP0.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid
CID 167851638
3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032155
cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676145
ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid
CID 162751325
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
3-[2-(propan-2-ylamino)ethylsulfonylamino]cyclohexane-1-carboxylic acid
CID 169177435
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 114173300
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid (CID 106321503) is cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid is CC(C)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DXEJAFQGXVXWEZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)6-16(14,15)11-9-4-3-8(5-9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).