3-methyl-1-methylsulfanylbutan-2-amine

C6H15NS — CID 62691517

IUPAC3-methyl-1-methylsulfanylbutan-2-amine
SMILESCSCC(N)C(C)C
InChIInChI=1S/C6H15NS/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3
InChIKeyIAJRHVDJCLXYNN-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.33
Rot. Bonds3

About 3-methyl-1-methylsulfanylbutan-2-amine

3-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 62691517) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 3-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-methylsulfanylbutan-2-amine
PubChem CID62691517
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name3-methyl-1-methylsulfanylbutan-2-amine
SMILESCSCC(N)C(C)C
InChIInChI=1S/C6H15NS/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3
InChIKeyIAJRHVDJCLXYNN-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[(2-amino-3-methylbutyl)disulfanyl]propanoic acid
CID 165172984
3-methyl-1-propylsulfanylbutan-2-amine
CID 65128665
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124
(2S)-1-fluoro-3-methylbutan-2-amine
CID 55290388
1-bromo-3-methylbutan-2-amine
CID 13124274
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
2,9-dimethyldecane-3,8-diamine
CID 87559181
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394
1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine
CID 66054298
3-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine;hydrochloride
CID 86262547
(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
CID 86651329

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of 3-methyl-1-methylsulfanylbutan-2-amine (CID 62691517) is 3-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for 3-methyl-1-methylsulfanylbutan-2-amine is CSCC(N)C(C)C.
What is the InChIKey of 3-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is IAJRHVDJCLXYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3.
What are the key properties of 3-methyl-1-methylsulfanylbutan-2-amine?
3-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 62691517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).