cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

C14H22N2OS — CID 129434882

IUPACcis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC[S@](=O)[C@H]1CCCC[C@H]1NCc1cccnc1
InChIInChI=1S/C14H22N2OS/c1-2-18(17)14-8-4-3-7-13(14)16-11-12-6-5-9-15-10-12/h5-6,9-10,13-14,16H,2-4,7-8,11H2,1H3/t13-,14+,18+/m1/s1
InChIKeyUHISLCULFNDRAG-GLJUWKHASA-N
MW266.41 g/mol
LogP2.25
Rot. Bonds5

About cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 129434882) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID129434882
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Namecis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC[S@](=O)[C@H]1CCCC[C@H]1NCc1cccnc1
InChIInChI=1S/C14H22N2OS/c1-2-18(17)14-8-4-3-7-13(14)16-11-12-6-5-9-15-10-12/h5-6,9-10,13-14,16H,2-4,7-8,11H2,1H3/t13-,14+,18+/m1/s1
InChIKeyUHISLCULFNDRAG-GLJUWKHASA-N
XLogP2.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
2-ethylsulfinyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclohexan-1-amine
CID 86778646
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 124739593
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
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 129434882) is cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is CC[S@](=O)[C@H]1CCCC[C@H]1NCc1cccnc1.
What is the InChIKey of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is UHISLCULFNDRAG-GLJUWKHASA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-18(17)14-8-4-3-7-13(14)16-11-12-6-5-9-15-10-12/h5-6,9-10,13-14,16H,2-4,7-8,11H2,1H3/t13-,14+,18+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 266.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 129434882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).