N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H16N2O4S2 — CID 97065958

IUPACN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1ccsc1
InChIInChI=1S/C12H16N2O4S2/c1-8-11(9(2)18-14-8)20(16,17)13-7-12(3,15)10-4-5-19-6-10/h4-6,13,15H,7H2,1-3H3/t12-/m0/s1
InChIKeyOMPKAVNURWWJNM-LBPRGKRZSA-N
MW316.40 g/mol
LogP1.54
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 97065958) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID97065958
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1ccsc1
InChIInChI=1S/C12H16N2O4S2/c1-8-11(9(2)18-14-8)20(16,17)13-7-12(3,15)10-4-5-19-6-10/h4-6,13,15H,7H2,1-3H3/t12-/m0/s1
InChIKeyOMPKAVNURWWJNM-LBPRGKRZSA-N
XLogP1.54
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-bromophenyl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110291682
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113090418
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100000000
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 124759827
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111976782
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
CID 97239434
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide
CID 111448426
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 86870479

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 97065958) is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1ccsc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OMPKAVNURWWJNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-8-11(9(2)18-14-8)20(16,17)13-7-12(3,15)10-4-5-19-6-10/h4-6,13,15H,7H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 97065958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).