2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid

C10H17NO4S — CID 82762373

IUPAC2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C10H17NO4S/c1-10(9(12)13)6-2-3-8(10)11-16(14,15)7-4-5-7/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyIXLNVCTVOZSTJR-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.71
Rot. Bonds4

About 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid

2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762373) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762373
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C10H17NO4S/c1-10(9(12)13)6-2-3-8(10)11-16(14,15)7-4-5-7/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyIXLNVCTVOZSTJR-UHFFFAOYSA-N
XLogP0.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid (CID 82762373) is 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NS(=O)(=O)C1CC1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is IXLNVCTVOZSTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-10(9(12)13)6-2-3-8(10)11-16(14,15)7-4-5-7/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).