N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

C13H20N2O4S2 — CID 99718542

IUPACN-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](C)CS(=O)(=O)NC(=O)c1csc([C@H]2CCCO2)n1
InChIInChI=1S/C13H20N2O4S2/c1-3-9(2)8-21(17,18)15-12(16)10-7-20-13(14-10)11-5-4-6-19-11/h7,9,11H,3-6,8H2,1-2H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyQRMXCBPCUKWHCS-MWLCHTKSSA-N
MW332.45 g/mol
LogP2.10
Rot. Bonds6

About N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 99718542) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID99718542
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](C)CS(=O)(=O)NC(=O)c1csc([C@H]2CCCO2)n1
InChIInChI=1S/C13H20N2O4S2/c1-3-9(2)8-21(17,18)15-12(16)10-7-20-13(14-10)11-5-4-6-19-11/h7,9,11H,3-6,8H2,1-2H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyQRMXCBPCUKWHCS-MWLCHTKSSA-N
XLogP2.10
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (CID 99718542) is N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is CC[C@@H](C)CS(=O)(=O)NC(=O)c1csc([C@H]2CCCO2)n1.
What is the InChIKey of N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QRMXCBPCUKWHCS-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-3-9(2)8-21(17,18)15-12(16)10-7-20-13(14-10)11-5-4-6-19-11/h7,9,11H,3-6,8H2,1-2H3,(H,15,16)/t9-,11-/m1/s1.
What are the key properties of N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99718542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).