4-(3,4-dimethylphenyl)sulfinylpentan-2-amine

C13H21NOS — CID 64705005

IUPAC4-(3,4-dimethylphenyl)sulfinylpentan-2-amine
SMILESCc1ccc(S(=O)C(C)CC(C)N)cc1C
InChIInChI=1S/C13H21NOS/c1-9-5-6-13(7-10(9)2)16(15)12(4)8-11(3)14/h5-7,11-12H,8,14H2,1-4H3
InChIKeyFDFUWYOLTNDHKH-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.54
Rot. Bonds4

About 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine

4-(3,4-dimethylphenyl)sulfinylpentan-2-amine (PubChem CID 64705005) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfinylpentan-2-amine
PubChem CID64705005
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-(3,4-dimethylphenyl)sulfinylpentan-2-amine
SMILESCc1ccc(S(=O)C(C)CC(C)N)cc1C
InChIInChI=1S/C13H21NOS/c1-9-5-6-13(7-10(9)2)16(15)12(4)8-11(3)14/h5-7,11-12H,8,14H2,1-4H3
InChIKeyFDFUWYOLTNDHKH-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.54
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)sulfinylpentan-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine (CID 64705005) is 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine is Cc1ccc(S(=O)C(C)CC(C)N)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine?
The InChIKey is FDFUWYOLTNDHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-5-6-13(7-10(9)2)16(15)12(4)8-11(3)14/h5-7,11-12H,8,14H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine?
4-(3,4-dimethylphenyl)sulfinylpentan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfinylpentan-2-amine is sourced from PubChem (CID 64705005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).