5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine

C13H20N2OS — CID 112741758

IUPAC5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine
SMILESCC1CCCC(S(=O)Cc2ccc(N)nc2)C1
InChIInChI=1S/C13H20N2OS/c1-10-3-2-4-12(7-10)17(16)9-11-5-6-13(14)15-8-11/h5-6,8,10,12H,2-4,7,9H2,1H3,(H2,14,15)
InChIKeyJDAXARUJGVWEMI-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.49
Rot. Bonds3

About 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine

5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine (PubChem CID 112741758) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine
PubChem CID112741758
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine
SMILESCC1CCCC(S(=O)Cc2ccc(N)nc2)C1
InChIInChI=1S/C13H20N2OS/c1-10-3-2-4-12(7-10)17(16)9-11-5-6-13(14)15-8-11/h5-6,8,10,12H,2-4,7,9H2,1H3,(H2,14,15)
InChIKeyJDAXARUJGVWEMI-UHFFFAOYSA-N
XLogP2.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine
CID 81333036
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
CID 97163604
2-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 62721365
4-fluoro-3-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 107453551
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one
CID 62721366
2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64658201
2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
CID 97163603
1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64658392
[2-[3-(3-methylcyclohexyl)sulfinylpropoxy]phenyl]methanamine
CID 81332910
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
CID 170987713

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine?
The IUPAC name of 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine (CID 112741758) is 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine?
The canonical SMILES for 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine is CC1CCCC(S(=O)Cc2ccc(N)nc2)C1.
What is the InChIKey of 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine?
The InChIKey is JDAXARUJGVWEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-3-2-4-12(7-10)17(16)9-11-5-6-13(14)15-8-11/h5-6,8,10,12H,2-4,7,9H2,1H3,(H2,14,15).
What are the key properties of 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine?
5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine has a molecular weight of 252.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine is sourced from PubChem (CID 112741758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).