ethane;1-(3-methylphenyl)sulfanylpropan-2-amine

C14H27NS — CID 145087254

IUPACethane;1-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCC.CC.Cc1cccc(SCC(C)N)c1
InChIInChI=1S/C10H15NS.2C2H6/c1-8-4-3-5-10(6-8)12-7-9(2)11;2*1-2/h3-6,9H,7,11H2,1-2H3;2*1-2H3
InChIKeyWUURVQAKGSKZJV-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.49
Rot. Bonds3

About ethane;1-(3-methylphenyl)sulfanylpropan-2-amine

ethane;1-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 145087254) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is ethane;1-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Nameethane;1-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID145087254
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Nameethane;1-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCC.CC.Cc1cccc(SCC(C)N)c1
InChIInChI=1S/C10H15NS.2C2H6/c1-8-4-3-5-10(6-8)12-7-9(2)11;2*1-2/h3-6,9H,7,11H2,1-2H3;2*1-2H3
InChIKeyWUURVQAKGSKZJV-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
1-(3-methylphenyl)sulfanyldodecan-2-amine
CID 66087954
4,6-dimethyl-1-(3-methylphenyl)sulfanylheptan-2-ol
CID 114200730
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of ethane;1-(3-methylphenyl)sulfanylpropan-2-amine (CID 145087254) is ethane;1-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for ethane;1-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for ethane;1-(3-methylphenyl)sulfanylpropan-2-amine is CC.CC.Cc1cccc(SCC(C)N)c1.
What is the InChIKey of ethane;1-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is WUURVQAKGSKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.2C2H6/c1-8-4-3-5-10(6-8)12-7-9(2)11;2*1-2/h3-6,9H,7,11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(3-methylphenyl)sulfanylpropan-2-amine?
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 241.44 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 145087254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).