2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

C13H20N2O2S — CID 75384290

IUPAC2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCc1cccnc1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)13-7-3-2-6-12(13)15-10-11-5-4-8-14-9-11/h4-5,8-9,12-13,15H,2-3,6-7,10H2,1H3
InChIKeyLNJMPFOYXYKXKJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.53
Rot. Bonds4

About 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 75384290) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID75384290
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCc1cccnc1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)13-7-3-2-6-12(13)15-10-11-5-4-8-14-9-11/h4-5,8-9,12-13,15H,2-3,6-7,10H2,1H3
InChIKeyLNJMPFOYXYKXKJ-UHFFFAOYSA-N
XLogP1.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471725
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 129434882
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046504
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 75384290) is 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is CS(=O)(=O)C1CCCCC1NCc1cccnc1.
What is the InChIKey of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is LNJMPFOYXYKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-18(16,17)13-7-3-2-6-12(13)15-10-11-5-4-8-14-9-11/h4-5,8-9,12-13,15H,2-3,6-7,10H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 268.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 75384290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).