(3-propylsulfanylphenyl)methanamine

C10H15NS — CID 66356001

IUPAC(3-propylsulfanylphenyl)methanamine
SMILESCCCSc1cccc(CN)c1
InChIInChI=1S/C10H15NS/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3
InChIKeyQNMDTKLHXXAGLR-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.65
Rot. Bonds4

About (3-propylsulfanylphenyl)methanamine

(3-propylsulfanylphenyl)methanamine (PubChem CID 66356001) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (3-propylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3-propylsulfanylphenyl)methanamine
PubChem CID66356001
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(3-propylsulfanylphenyl)methanamine
SMILESCCCSc1cccc(CN)c1
InChIInChI=1S/C10H15NS/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3
InChIKeyQNMDTKLHXXAGLR-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
CID 66354536
2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine
CID 66354101
[3-(3-fluoro-3-methylbutyl)sulfanylphenyl]methanamine
CID 84691373
[3-(3,3-difluorobutylsulfanyl)phenyl]methanamine
CID 84694932
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
[3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530073
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
CID 84683032
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
CID 66355170

Frequently Asked Questions

What is the IUPAC name of (3-propylsulfanylphenyl)methanamine?
The IUPAC name of (3-propylsulfanylphenyl)methanamine (CID 66356001) is (3-propylsulfanylphenyl)methanamine.
What is the SMILES notation for (3-propylsulfanylphenyl)methanamine?
The canonical SMILES for (3-propylsulfanylphenyl)methanamine is CCCSc1cccc(CN)c1.
What is the InChIKey of (3-propylsulfanylphenyl)methanamine?
The InChIKey is QNMDTKLHXXAGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3.
What are the key properties of (3-propylsulfanylphenyl)methanamine?
(3-propylsulfanylphenyl)methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylsulfanylphenyl)methanamine is sourced from PubChem (CID 66356001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).