1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine

C16H25NO3S — CID 64572117

IUPAC1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine
SMILESCCCS(=O)(=O)c1ccccc1OCC1(N)CCCCC1
InChIInChI=1S/C16H25NO3S/c1-2-12-21(18,19)15-9-5-4-8-14(15)20-13-16(17)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-13,17H2,1H3
InChIKeyPFVILFQMDODAPO-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.91
Rot. Bonds6

About 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine

1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine (PubChem CID 64572117) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine
PubChem CID64572117
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine
SMILESCCCS(=O)(=O)c1ccccc1OCC1(N)CCCCC1
InChIInChI=1S/C16H25NO3S/c1-2-12-21(18,19)15-9-5-4-8-14(15)20-13-16(17)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-13,17H2,1H3
InChIKeyPFVILFQMDODAPO-UHFFFAOYSA-N
XLogP2.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Cyclohexylmethoxy)phenylsulfinyl)ethanamine
CID 25256103
2-(3-(Cyclohexylmethoxy)phenylsulfonyl)ethanamine
CID 25256104
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CID 146317796
3-[(3-Fluoro-5-methylsulfonylphenoxy)methyl]pentan-3-amine
CID 70979929
(E)-4-fluoro-3-[2-(oxan-4-ylmethoxymethylsulfonyl)phenoxy]but-3-en-2-amine
CID 156362918
1-Benzylsulfonyl-2-ethoxybenzene
CID 134859748
1-[2-(Difluoromethylsulfonyl)phenoxy]-2-methylpropan-2-amine
CID 64537191
2-Methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine
CID 64538786
3-[[2-(Trifluoromethylsulfonyl)phenoxy]methyl]pentan-3-amine
CID 64571269
3-[[4-(Difluoromethylsulfonyl)phenoxy]methyl]pentan-3-amine
CID 64571930
1-[2-(Difluoromethylsulfonyl)phenoxy]-2-methylbutan-2-amine
CID 64572152
1-[[4-(Difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine
CID 64572542

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine (CID 64572117) is 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine is CCCS(=O)(=O)c1ccccc1OCC1(N)CCCCC1.
What is the InChIKey of 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine?
The InChIKey is PFVILFQMDODAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-12-21(18,19)15-9-5-4-8-14(15)20-13-16(17)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-13,17H2,1H3.
What are the key properties of 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine?
1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64572117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).