3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide

C16H25NO3S — CID 65014994

IUPAC3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
SMILESCC1CCCC(OCC(CS(N)(=O)=O)c2ccccc2)C1
InChIInChI=1S/C16H25NO3S/c1-13-6-5-9-16(10-13)20-11-15(12-21(17,18)19)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyKUMORPFBWBWYSX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.65
Rot. Bonds6

About 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide

3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide (PubChem CID 65014994) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
PubChem CID65014994
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
SMILESCC1CCCC(OCC(CS(N)(=O)=O)c2ccccc2)C1
InChIInChI=1S/C16H25NO3S/c1-13-6-5-9-16(10-13)20-11-15(12-21(17,18)19)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyKUMORPFBWBWYSX-UHFFFAOYSA-N
XLogP2.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide
CID 65015045
3-heptoxy-2-phenylpropane-1-sulfonamide
CID 65015525
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127981
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64900085
2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide
CID 65015331
2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
CID 65013157
(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677
methyl 2-bromo-3-(3-methylcyclohexyl)oxypropanoate
CID 81092090
[1-bromo-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-yl]benzene
CID 65016054
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 98764146
(2S)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 95624769

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide?
The IUPAC name of 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide (CID 65014994) is 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide?
The canonical SMILES for 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide is CC1CCCC(OCC(CS(N)(=O)=O)c2ccccc2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide?
The InChIKey is KUMORPFBWBWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13-6-5-9-16(10-13)20-11-15(12-21(17,18)19)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H2,17,18,19).
What are the key properties of 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide?
3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 65014994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).