3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide

C13H20N2O3S2 — CID 136546763

IUPAC3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide
SMILESCc1nc(S(=O)(=O)NC(=O)CCC2CCCC2)sc1C
InChIInChI=1S/C13H20N2O3S2/c1-9-10(2)19-13(14-9)20(17,18)15-12(16)8-7-11-5-3-4-6-11/h11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMBLHWWXVUCCVMN-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.54
Rot. Bonds5

About 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide

3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide (PubChem CID 136546763) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide
PubChem CID136546763
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide
SMILESCc1nc(S(=O)(=O)NC(=O)CCC2CCCC2)sc1C
InChIInChI=1S/C13H20N2O3S2/c1-9-10(2)19-13(14-9)20(17,18)15-12(16)8-7-11-5-3-4-6-11/h11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMBLHWWXVUCCVMN-UHFFFAOYSA-N
XLogP2.54
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
CID 47108856
3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4130975
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide
CID 175027470
3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide
CID 54388875
3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4278865
3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
CID 122302583
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95749047

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide (CID 136546763) is 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide is Cc1nc(S(=O)(=O)NC(=O)CCC2CCCC2)sc1C.
What is the InChIKey of 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide?
The InChIKey is MBLHWWXVUCCVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-9-10(2)19-13(14-9)20(17,18)15-12(16)8-7-11-5-3-4-6-11/h11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide?
3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide has a molecular weight of 316.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide is sourced from PubChem (CID 136546763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).