N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide

C17H25NO3S — CID 139639195

IUPACN-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide
SMILESCC(C)(Oc1ccc(S(=O)NC2CCCCC2)cc1)C1CO1
InChIInChI=1S/C17H25NO3S/c1-17(2,16-12-20-16)21-14-8-10-15(11-9-14)22(19)18-13-6-4-3-5-7-13/h8-11,13,16,18H,3-7,12H2,1-2H3
InChIKeyUHJGCSPZHALKGA-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.19
Rot. Bonds6

About N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide

N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide (PubChem CID 139639195) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide
PubChem CID139639195
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide
SMILESCC(C)(Oc1ccc(S(=O)NC2CCCCC2)cc1)C1CO1
InChIInChI=1S/C17H25NO3S/c1-17(2,16-12-20-16)21-14-8-10-15(11-9-14)22(19)18-13-6-4-3-5-7-13/h8-11,13,16,18H,3-7,12H2,1-2H3
InChIKeyUHJGCSPZHALKGA-UHFFFAOYSA-N
XLogP3.19
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinate
CID 139638572
N-[4-[2-(oxiran-2-yl)propan-2-yloxy]phenyl]ethanesulfinamide
CID 139638530
pentyl 4-[2-(oxiran-2-yl)propan-2-yloxy]benzoate
CID 139638554
1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 110774513
N-[4-(2-methylbut-3-en-2-yloxy)phenyl]cyclohexanesulfinamide
CID 139638959
N-tert-butyl-4-(2-methylbut-3-en-2-yloxy)benzenesulfinamide
CID 139639329
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
4-(cyclohexylmethoxy)benzenesulfinyl chloride
CID 138665200
1-cyclohexyl-4-[2-[4-(4-methoxyphenyl)sulfinylphenyl]propan-2-yl]piperidine
CID 10203593
2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine
CID 64658344
N-cyclohexyl-3-methylsulfinylaniline
CID 115744089
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide?
The IUPAC name of N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide (CID 139639195) is N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide?
The canonical SMILES for N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide is CC(C)(Oc1ccc(S(=O)NC2CCCCC2)cc1)C1CO1.
What is the InChIKey of N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide?
The InChIKey is UHJGCSPZHALKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-17(2,16-12-20-16)21-14-8-10-15(11-9-14)22(19)18-13-6-4-3-5-7-13/h8-11,13,16,18H,3-7,12H2,1-2H3.
What are the key properties of N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide?
N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide has a molecular weight of 323.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(oxiran-2-yl)propan-2-yloxy]benzenesulfinamide is sourced from PubChem (CID 139639195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).