5-amino-1-phenylpentane-1-thione

C11H15NS — CID 89222189

IUPAC5-amino-1-phenylpentane-1-thione
SMILESNCCCCC(=S)c1ccccc1
InChIInChI=1S/C11H15NS/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2
InChIKeyKNPUEJFLUCWZLT-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.53
Rot. Bonds5

About 5-amino-1-phenylpentane-1-thione

5-amino-1-phenylpentane-1-thione (PubChem CID 89222189) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 5-amino-1-phenylpentane-1-thione.

Molecular Properties

Compound Name5-amino-1-phenylpentane-1-thione
PubChem CID89222189
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name5-amino-1-phenylpentane-1-thione
SMILESNCCCCC(=S)c1ccccc1
InChIInChI=1S/C11H15NS/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2
InChIKeyKNPUEJFLUCWZLT-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-5-pyridin-2-ylpentane-1-thione
CID 173093355
N-(4-aminobutyl)benzenecarbothioamide
CID 172849592
1,3-diphenylpropane-1,3-dithione
CID 23346868
6-amino-1-phenylhexan-2-one
CID 57063081
N'-(4-aminobutyl)benzenecarboximidamide
CID 172789846
8-amino-1-phenyloctan-4-one
CID 116571907
phenyl 6-aminohexanoate
CID 67610552
N,N-bis(6-aminohexyl)benzamide
CID 68737596
benzene;hexane-1,6-diamine
CID 159264392
1-phenylbut-3-ene-1-thione
CID 23072627
formaldehyde;hexane-1,6-diamine;phenol
CID 159665484
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenylpentane-1-thione?
The IUPAC name of 5-amino-1-phenylpentane-1-thione (CID 89222189) is 5-amino-1-phenylpentane-1-thione.
What is the SMILES notation for 5-amino-1-phenylpentane-1-thione?
The canonical SMILES for 5-amino-1-phenylpentane-1-thione is NCCCCC(=S)c1ccccc1.
What is the InChIKey of 5-amino-1-phenylpentane-1-thione?
The InChIKey is KNPUEJFLUCWZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2.
What are the key properties of 5-amino-1-phenylpentane-1-thione?
5-amino-1-phenylpentane-1-thione has a molecular weight of 193.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenylpentane-1-thione is sourced from PubChem (CID 89222189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).