4-phenylsulfanylbutan-2-amine

C10H15NS — CID 15889487

IUPAC4-phenylsulfanylbutan-2-amine
SMILESCC(N)CCSc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyDUODLVSFPZAALJ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.52
Rot. Bonds4

About 4-phenylsulfanylbutan-2-amine

4-phenylsulfanylbutan-2-amine (PubChem CID 15889487) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-phenylsulfanylbutan-2-amine.

Molecular Properties

Compound Name4-phenylsulfanylbutan-2-amine
PubChem CID15889487
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-phenylsulfanylbutan-2-amine
SMILESCC(N)CCSc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyDUODLVSFPZAALJ-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanylbutan-2-amine?
The IUPAC name of 4-phenylsulfanylbutan-2-amine (CID 15889487) is 4-phenylsulfanylbutan-2-amine.
What is the SMILES notation for 4-phenylsulfanylbutan-2-amine?
The canonical SMILES for 4-phenylsulfanylbutan-2-amine is CC(N)CCSc1ccccc1.
What is the InChIKey of 4-phenylsulfanylbutan-2-amine?
The InChIKey is DUODLVSFPZAALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3.
What are the key properties of 4-phenylsulfanylbutan-2-amine?
4-phenylsulfanylbutan-2-amine has a molecular weight of 181.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanylbutan-2-amine is sourced from PubChem (CID 15889487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).