N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H18N2O4S — CID 95984012

IUPACN-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C11H18N2O4S/c1-7-11(8(2)17-12-7)18(15,16)13-9-4-3-5-10(14)6-9/h9-10,13-14H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyWJJXWXCHTYLFPQ-VHSXEESVSA-N
MW274.34 g/mol
LogP0.87
Rot. Bonds3

About N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 95984012) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID95984012
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C11H18N2O4S/c1-7-11(8(2)17-12-7)18(15,16)13-9-4-3-5-10(14)6-9/h9-10,13-14H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyWJJXWXCHTYLFPQ-VHSXEESVSA-N
XLogP0.87
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
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
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 66007194
N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 162872561
2,6-difluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984043
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984042
N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7048976
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762749
2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 95984052
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53185647

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 95984012) is N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is WJJXWXCHTYLFPQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7-11(8(2)17-12-7)18(15,16)13-9-4-3-5-10(14)6-9/h9-10,13-14H,3-6H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 95984012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).