4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine

C14H21NOS — CID 55115604

IUPAC4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine
SMILESCc1ccc(S(=O)C2CCC(N)CC2)cc1C
InChIInChI=1S/C14H21NOS/c1-10-3-6-14(9-11(10)2)17(16)13-7-4-12(15)5-8-13/h3,6,9,12-13H,4-5,7-8,15H2,1-2H3
InChIKeyYXTUGFGUWVMULM-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.68
Rot. Bonds2

About 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine

4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine (PubChem CID 55115604) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine
PubChem CID55115604
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine
SMILESCc1ccc(S(=O)C2CCC(N)CC2)cc1C
InChIInChI=1S/C14H21NOS/c1-10-3-6-14(9-11(10)2)17(16)13-7-4-12(15)5-8-13/h3,6,9,12-13H,4-5,7-8,15H2,1-2H3
InChIKeyYXTUGFGUWVMULM-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine (CID 55115604) is 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine is Cc1ccc(S(=O)C2CCC(N)CC2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine?
The InChIKey is YXTUGFGUWVMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-3-6-14(9-11(10)2)17(16)13-7-4-12(15)5-8-13/h3,6,9,12-13H,4-5,7-8,15H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine?
4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 55115604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).