1-phenylsulfanylbutan-2-amine

C10H15NS — CID 24973194

IUPAC1-phenylsulfanylbutan-2-amine
SMILESCCC(N)CSc1ccccc1
InChIInChI=1S/C10H15NS/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3
InChIKeyYEELLYVNKHEHJV-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.52
Rot. Bonds4

About 1-phenylsulfanylbutan-2-amine

1-phenylsulfanylbutan-2-amine (PubChem CID 24973194) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-phenylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-phenylsulfanylbutan-2-amine
PubChem CID24973194
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-phenylsulfanylbutan-2-amine
SMILESCCC(N)CSc1ccccc1
InChIInChI=1S/C10H15NS/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3
InChIKeyYEELLYVNKHEHJV-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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Related Compounds

4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
1-ethoxy-3-phenylsulfanylpropan-2-amine
CID 79573957
1-N,1-N-diethyl-4-phenylsulfanylbutane-1,3-diamine
CID 77220691
N-methylmethanamine;4-phenylsulfanylbutane-1,3-diamine
CID 66723752
1-phenylsulfanylhex-4-yn-2-amine
CID 65141839
(3R)-1-N,1-N-dimethyl-4-phenylsulfanylbutane-1,3-diamine
CID 58080194
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
(2-ethyl-3-methylbutyl)sulfanylbenzene
CID 10899831
(2R)-1-phenylsulfanylbut-3-en-2-amine
CID 58800081
1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65142021
6,6-dimethyl-1-phenylsulfanylhept-4-yn-2-amine
CID 114190278
5-phenyl-1-phenylsulfanylpentan-2-amine
CID 65141833

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylbutan-2-amine?
The IUPAC name of 1-phenylsulfanylbutan-2-amine (CID 24973194) is 1-phenylsulfanylbutan-2-amine.
What is the SMILES notation for 1-phenylsulfanylbutan-2-amine?
The canonical SMILES for 1-phenylsulfanylbutan-2-amine is CCC(N)CSc1ccccc1.
What is the InChIKey of 1-phenylsulfanylbutan-2-amine?
The InChIKey is YEELLYVNKHEHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3.
What are the key properties of 1-phenylsulfanylbutan-2-amine?
1-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 1-phenylsulfanylbutan-2-amine is sourced from PubChem (CID 24973194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).