2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

C12H18N2O5S — CID 82762749

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H18N2O5S/c1-7-10(8(2)19-13-7)20(17,18)14-9-5-4-6-12(9,3)11(15)16/h9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyBTCMHWIZDVMDEU-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.21
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762749) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762749
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H18N2O5S/c1-7-10(8(2)19-13-7)20(17,18)14-9-5-4-6-12(9,3)11(15)16/h9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyBTCMHWIZDVMDEU-UHFFFAOYSA-N
XLogP1.21
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide
CID 98393451
2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762373
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763507
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760450
1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82762598
2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763426
2-[(1,1-dioxothian-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763532
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763494
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 56882966
N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106367635

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82762749) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is Cc1noc(C)c1S(=O)(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BTCMHWIZDVMDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-7-10(8(2)19-13-7)20(17,18)14-9-5-4-6-12(9,3)11(15)16/h9,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).