1-phenyl-N-propylsulfanylmethanamine

C10H15NS — CID 89416181

IUPAC1-phenyl-N-propylsulfanylmethanamine
SMILESCCCSNCc1ccccc1
InChIInChI=1S/C10H15NS/c1-2-8-12-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyABDVSDZMYFCNGB-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.83
Rot. Bonds5

About 1-phenyl-N-propylsulfanylmethanamine

1-phenyl-N-propylsulfanylmethanamine (PubChem CID 89416181) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-phenyl-N-propylsulfanylmethanamine.

Molecular Properties

Compound Name1-phenyl-N-propylsulfanylmethanamine
PubChem CID89416181
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-phenyl-N-propylsulfanylmethanamine
SMILESCCCSNCc1ccccc1
InChIInChI=1S/C10H15NS/c1-2-8-12-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyABDVSDZMYFCNGB-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N'-propylsulfanylethane-1,2-diamine
CID 123519901
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylethanamine;tris(yttrium)
CID 158198357
N-benzylpropan-1-amine;ethane;propane
CID 145164103
(benzylamino) thiocyanate
CID 11344191
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
azane;N-benzylbutan-1-amine
CID 175388745
2-N,4-N-dibenzyl-6-dodecylsulfanyl-1,3,5-triazine-2,4-diamine
CID 159127421
N-benzyltridecan-6-amine
CID 166644944
(2R)-N-benzylheptan-2-amine
CID 14923313
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propylsulfanylmethanamine?
The IUPAC name of 1-phenyl-N-propylsulfanylmethanamine (CID 89416181) is 1-phenyl-N-propylsulfanylmethanamine.
What is the SMILES notation for 1-phenyl-N-propylsulfanylmethanamine?
The canonical SMILES for 1-phenyl-N-propylsulfanylmethanamine is CCCSNCc1ccccc1.
What is the InChIKey of 1-phenyl-N-propylsulfanylmethanamine?
The InChIKey is ABDVSDZMYFCNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-8-12-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 1-phenyl-N-propylsulfanylmethanamine?
1-phenyl-N-propylsulfanylmethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propylsulfanylmethanamine is sourced from PubChem (CID 89416181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).