1-cyclohexyl-5-methylsulfonylpentan-3-amine

C12H25NO2S — CID 115848165

IUPAC1-cyclohexyl-5-methylsulfonylpentan-3-amine
SMILESCS(=O)(=O)CCC(N)CCC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-16(14,15)10-9-12(13)8-7-11-5-3-2-4-6-11/h11-12H,2-10,13H2,1H3
InChIKeyQRCNEPYTCPJORV-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.11
Rot. Bonds6

About 1-cyclohexyl-5-methylsulfonylpentan-3-amine

1-cyclohexyl-5-methylsulfonylpentan-3-amine (PubChem CID 115848165) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-cyclohexyl-5-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-5-methylsulfonylpentan-3-amine
PubChem CID115848165
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-cyclohexyl-5-methylsulfonylpentan-3-amine
SMILESCS(=O)(=O)CCC(N)CCC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-16(14,15)10-9-12(13)8-7-11-5-3-2-4-6-11/h11-12H,2-10,13H2,1H3
InChIKeyQRCNEPYTCPJORV-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

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Related Compounds

1-cyclohexylhexan-3-amine
CID 43370456
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1-cyclohexyl-6,6,6-trifluorohexan-3-amine
CID 104992655
(2S)-2-amino-4-cyclohexylbutan-1-ol
CID 11447105
4-cyclohexylbutane-2-sulfonic acid
CID 88555201
1-cyclopentyl-7-methyloctan-3-amine
CID 105028925
1-cyclopentylundecan-3-amine
CID 115835660
2-amino-1-cycloheptyl-4-methylsulfonylbutan-1-one
CID 116552105
1-cyclobutyl-5-methylsulfonylpentan-2-amine
CID 103168350
1-cyclohexyl-5-ethylheptan-3-amine
CID 105028019

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methylsulfonylpentan-3-amine?
The IUPAC name of 1-cyclohexyl-5-methylsulfonylpentan-3-amine (CID 115848165) is 1-cyclohexyl-5-methylsulfonylpentan-3-amine.
What is the SMILES notation for 1-cyclohexyl-5-methylsulfonylpentan-3-amine?
The canonical SMILES for 1-cyclohexyl-5-methylsulfonylpentan-3-amine is CS(=O)(=O)CCC(N)CCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methylsulfonylpentan-3-amine?
The InChIKey is QRCNEPYTCPJORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-16(14,15)10-9-12(13)8-7-11-5-3-2-4-6-11/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-cyclohexyl-5-methylsulfonylpentan-3-amine?
1-cyclohexyl-5-methylsulfonylpentan-3-amine 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 1-cyclohexyl-5-methylsulfonylpentan-3-amine is sourced from PubChem (CID 115848165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).