N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine

C12H19NS — CID 64620449

IUPACN-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
SMILESCNC(C)C(C)Sc1ccc(C)cc1
InChIInChI=1S/C12H19NS/c1-9-5-7-12(8-6-9)14-11(3)10(2)13-4/h5-8,10-11,13H,1-4H3
InChIKeyQBSSQSCGJFZILA-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine

N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine (PubChem CID 64620449) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
PubChem CID64620449
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
SMILESCNC(C)C(C)Sc1ccc(C)cc1
InChIInChI=1S/C12H19NS/c1-9-5-7-12(8-6-9)14-11(3)10(2)13-4/h5-8,10-11,13H,1-4H3
InChIKeyQBSSQSCGJFZILA-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene
CID 10024575
3-(4-methylphenyl)sulfanylbutan-2-ol
CID 14194463
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094
bis[(4-methylphenyl)sulfanyl]methylsilane
CID 175428448
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638
2-(4-methylphenyl)sulfanylpropanal
CID 10081010
(2S)-2-(4-methylphenyl)sulfanylpropanal
CID 10352285
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
CID 63580962
N-methylmethanamine;1,4-xylene
CID 66760370
1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64620441

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine?
The IUPAC name of N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine (CID 64620449) is N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine?
The canonical SMILES for N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine is CNC(C)C(C)Sc1ccc(C)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine?
The InChIKey is QBSSQSCGJFZILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-5-7-12(8-6-9)14-11(3)10(2)13-4/h5-8,10-11,13H,1-4H3.
What are the key properties of N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine?
N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine is sourced from PubChem (CID 64620449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).