(2-pentylsulfonylcyclohexyl)methanamine

C12H25NO2S — CID 107766733

IUPAC(2-pentylsulfonylcyclohexyl)methanamine
SMILESCCCCCS(=O)(=O)C1CCCCC1CN
InChIInChI=1S/C12H25NO2S/c1-2-3-6-9-16(14,15)12-8-5-4-7-11(12)10-13/h11-12H,2-10,13H2,1H3
InChIKeyCRTLEOAUEDWSAR-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.11
Rot. Bonds6

About (2-pentylsulfonylcyclohexyl)methanamine

(2-pentylsulfonylcyclohexyl)methanamine (PubChem CID 107766733) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is (2-pentylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-pentylsulfonylcyclohexyl)methanamine
PubChem CID107766733
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name(2-pentylsulfonylcyclohexyl)methanamine
SMILESCCCCCS(=O)(=O)C1CCCCC1CN
InChIInChI=1S/C12H25NO2S/c1-2-3-6-9-16(14,15)12-8-5-4-7-11(12)10-13/h11-12H,2-10,13H2,1H3
InChIKeyCRTLEOAUEDWSAR-UHFFFAOYSA-N
XLogP2.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.11
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

(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
(2-butylsulfonyl-4-methylcyclohexyl)methanamine
CID 64697630
[4-(2-methylbutan-2-yl)-2-pentylsulfonylcyclohexyl]methanamine
CID 107766701
[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine
CID 64697595
[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine
CID 107767198
ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
CID 64696599
undecylsulfonylcyclohexane
CID 151596280
heptylsulfonylcyclooctane
CID 134525047
2-propylsulfonylcyclohexan-1-amine
CID 64645702
pentylsulfonylcyclopropane
CID 165043967
2-propylsulfonylcyclopentan-1-amine
CID 64646493
(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
CID 64698832

Frequently Asked Questions

What is the IUPAC name of (2-pentylsulfonylcyclohexyl)methanamine?
The IUPAC name of (2-pentylsulfonylcyclohexyl)methanamine (CID 107766733) is (2-pentylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (2-pentylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (2-pentylsulfonylcyclohexyl)methanamine is CCCCCS(=O)(=O)C1CCCCC1CN.
What is the InChIKey of (2-pentylsulfonylcyclohexyl)methanamine?
The InChIKey is CRTLEOAUEDWSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-2-3-6-9-16(14,15)12-8-5-4-7-11(12)10-13/h11-12H,2-10,13H2,1H3.
What are the key properties of (2-pentylsulfonylcyclohexyl)methanamine?
(2-pentylsulfonylcyclohexyl)methanamine has a molecular weight of 247.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 107766733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).