4-(hexylsulfonylmethyl)cyclohexan-1-amine

C13H27NO2S — CID 164606874

IUPAC4-(hexylsulfonylmethyl)cyclohexan-1-amine
SMILESCCCCCCS(=O)(=O)CC1CCC(N)CC1
InChIInChI=1S/C13H27NO2S/c1-2-3-4-5-10-17(15,16)11-12-6-8-13(14)9-7-12/h12-13H,2-11,14H2,1H3
InChIKeyVSDOYHWGBBTABA-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.50
Rot. Bonds7

About 4-(hexylsulfonylmethyl)cyclohexan-1-amine

4-(hexylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 164606874) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 4-(hexylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(hexylsulfonylmethyl)cyclohexan-1-amine
PubChem CID164606874
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name4-(hexylsulfonylmethyl)cyclohexan-1-amine
SMILESCCCCCCS(=O)(=O)CC1CCC(N)CC1
InChIInChI=1S/C13H27NO2S/c1-2-3-4-5-10-17(15,16)11-12-6-8-13(14)9-7-12/h12-13H,2-11,14H2,1H3
InChIKeyVSDOYHWGBBTABA-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(heptylsulfonylmethyl)piperidine
CID 82182021
propylsulfonylmethylcyclopropane
CID 20644601
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
4-methylcyclohexan-1-amine;undecane
CID 175032759
(2R,5R)-2,5-bis(octylsulfonylmethyl)-1,4-dioxane
CID 98082915
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
4-(cyclopentylmethylsulfonyl)butan-1-amine
CID 64699087
4,4-dimethylpentylsulfonylmethylcyclopropane
CID 159579445
4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
CID 65098075
6-chlorohexylsulfonylmethylcyclopentane
CID 63119415

Frequently Asked Questions

What is the IUPAC name of 4-(hexylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(hexylsulfonylmethyl)cyclohexan-1-amine (CID 164606874) is 4-(hexylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(hexylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(hexylsulfonylmethyl)cyclohexan-1-amine is CCCCCCS(=O)(=O)CC1CCC(N)CC1.
What is the InChIKey of 4-(hexylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is VSDOYHWGBBTABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-2-3-4-5-10-17(15,16)11-12-6-8-13(14)9-7-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 4-(hexylsulfonylmethyl)cyclohexan-1-amine?
4-(hexylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 164606874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).