3-(4-methylphenyl)sulfanylprop-1-en-2-amine

C10H13NS — CID 143815010

IUPAC3-(4-methylphenyl)sulfanylprop-1-en-2-amine
SMILESC=C(N)CSc1ccc(C)cc1
InChIInChI=1S/C10H13NS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,2,7,11H2,1H3
InChIKeyPNMJLOUMXNNWSC-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.56
Rot. Bonds3

About 3-(4-methylphenyl)sulfanylprop-1-en-2-amine

3-(4-methylphenyl)sulfanylprop-1-en-2-amine (PubChem CID 143815010) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanylprop-1-en-2-amine
PubChem CID143815010
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3-(4-methylphenyl)sulfanylprop-1-en-2-amine
SMILESC=C(N)CSc1ccc(C)cc1
InChIInChI=1S/C10H13NS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,2,7,11H2,1H3
InChIKeyPNMJLOUMXNNWSC-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
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2-(4-methylphenyl)sulfanylprop-2-enamide
CID 70098228
5-methyl-1-[2-(4-methylphenyl)sulfanylethyl]triazol-4-amine
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[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea
CID 71406398
N-[2-[(4-methylphenyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068007
1-(4-acetylphenyl)-2-[(4-methylphenyl)sulfanylmethyl]prop-2-en-1-one
CID 178178335
methyl 4-(4-methylphenyl)sulfanyl-3-oxo-2-propan-2-ylbutanoate
CID 66066407
4-methyl-1-(4-methylphenyl)sulfanylpentan-2-one
CID 66066545
1-methyl-4-[(4-methylphenyl)sulfanylmethylsulfanylmethylsulfanyl]benzene
CID 71336749
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethoxy)acetamide
CID 81341154

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanylprop-1-en-2-amine?
The IUPAC name of 3-(4-methylphenyl)sulfanylprop-1-en-2-amine (CID 143815010) is 3-(4-methylphenyl)sulfanylprop-1-en-2-amine.
What is the SMILES notation for 3-(4-methylphenyl)sulfanylprop-1-en-2-amine?
The canonical SMILES for 3-(4-methylphenyl)sulfanylprop-1-en-2-amine is C=C(N)CSc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanylprop-1-en-2-amine?
The InChIKey is PNMJLOUMXNNWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,2,7,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfanylprop-1-en-2-amine?
3-(4-methylphenyl)sulfanylprop-1-en-2-amine has a molecular weight of 179.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanylprop-1-en-2-amine is sourced from PubChem (CID 143815010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).