5-phenylsulfanylpentan-1-amine

C11H17NS — CID 15227684

IUPAC5-phenylsulfanylpentan-1-amine
SMILESNCCCCCSc1ccccc1
InChIInChI=1S/C11H17NS/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,12H2
InChIKeyLSXFKBSEZRHARU-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.91
Rot. Bonds6

About 5-phenylsulfanylpentan-1-amine

5-phenylsulfanylpentan-1-amine (PubChem CID 15227684) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 5-phenylsulfanylpentan-1-amine.

Molecular Properties

Compound Name5-phenylsulfanylpentan-1-amine
PubChem CID15227684
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name5-phenylsulfanylpentan-1-amine
SMILESNCCCCCSc1ccccc1
InChIInChI=1S/C11H17NS/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,12H2
InChIKeyLSXFKBSEZRHARU-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-phenylsulfanylethyl)butane-1,4-diamine;dihydrochloride
CID 45261767
nickel;octylsulfanylbenzene
CID 157277722
4-phenylsulfanylbutylazanium chloride
CID 118514341
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
11-phenylsulfanylundecanoic acid
CID 4109674
3-phenylsulfanylpropylazanium chloride
CID 70560097
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
10-azidodecylsulfanylbenzene
CID 134842747
4-benzylsulfanylbutylsulfanylbenzene
CID 10803322
2-(4-aminobutylsulfanyl)phenol
CID 84667847
1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
4-(4-phenylsulfanylbutoxy)aniline
CID 82097952

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanylpentan-1-amine?
The IUPAC name of 5-phenylsulfanylpentan-1-amine (CID 15227684) is 5-phenylsulfanylpentan-1-amine.
What is the SMILES notation for 5-phenylsulfanylpentan-1-amine?
The canonical SMILES for 5-phenylsulfanylpentan-1-amine is NCCCCCSc1ccccc1.
What is the InChIKey of 5-phenylsulfanylpentan-1-amine?
The InChIKey is LSXFKBSEZRHARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,12H2.
What are the key properties of 5-phenylsulfanylpentan-1-amine?
5-phenylsulfanylpentan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanylpentan-1-amine is sourced from PubChem (CID 15227684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).