4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine

C13H20N2OS — CID 64739469

IUPAC4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine
SMILESCC1CCC(S(=O)c2ccncc2N)CC1C
InChIInChI=1S/C13H20N2OS/c1-9-3-4-11(7-10(9)2)17(16)13-5-6-15-8-12(13)14/h5-6,8-11H,3-4,7,14H2,1-2H3
InChIKeyHCVMUXJJMKXXFL-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.60
Rot. Bonds2

About 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine

4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine (PubChem CID 64739469) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine
PubChem CID64739469
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine
SMILESCC1CCC(S(=O)c2ccncc2N)CC1C
InChIInChI=1S/C13H20N2OS/c1-9-3-4-11(7-10(9)2)17(16)13-5-6-15-8-12(13)14/h5-6,8-11H,3-4,7,14H2,1-2H3
InChIKeyHCVMUXJJMKXXFL-UHFFFAOYSA-N
XLogP2.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine (CID 64739469) is 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine is CC1CCC(S(=O)c2ccncc2N)CC1C.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine?
The InChIKey is HCVMUXJJMKXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-3-4-11(7-10(9)2)17(16)13-5-6-15-8-12(13)14/h5-6,8-11H,3-4,7,14H2,1-2H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine?
4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine has a molecular weight of 252.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)sulfinylpyridin-3-amine is sourced from PubChem (CID 64739469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).