N-methyl-3-methylsulfanylbutan-2-amine

C6H15NS — CID 58654798

IUPACN-methyl-3-methylsulfanylbutan-2-amine
SMILESCNC(C)C(C)SC
InChIInChI=1S/C6H15NS/c1-5(7-3)6(2)8-4/h5-7H,1-4H3
InChIKeyGHGDLKNNAQYTAJ-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-3-methylsulfanylbutan-2-amine

N-methyl-3-methylsulfanylbutan-2-amine (PubChem CID 58654798) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-methyl-3-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanylbutan-2-amine
PubChem CID58654798
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-methyl-3-methylsulfanylbutan-2-amine
SMILESCNC(C)C(C)SC
InChIInChI=1S/C6H15NS/c1-5(7-3)6(2)8-4/h5-7H,1-4H3
InChIKeyGHGDLKNNAQYTAJ-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol
CID 66103224
N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
CID 64620449
(3S)-3-N-methylbutane-2,3-diamine
CID 83349931
(2R)-3-N-methylbutane-2,3-diamine
CID 138713984
1,1-difluoro-N-methylpropan-2-amine
CID 80609422
N-methyl-2-methylsulfanylpropanamide
CID 55208447
N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
CID 64633889
(2S)-1,1-dimethoxy-N-methylpropan-2-amine
CID 11571861
(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218
3-(methylamino)butane-1,1,2-triol
CID 174689462
N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine
CID 123520155
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927737

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-3-methylsulfanylbutan-2-amine (CID 58654798) is N-methyl-3-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-3-methylsulfanylbutan-2-amine is CNC(C)C(C)SC.
What is the InChIKey of N-methyl-3-methylsulfanylbutan-2-amine?
The InChIKey is GHGDLKNNAQYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-5(7-3)6(2)8-4/h5-7H,1-4H3.
What are the key properties of N-methyl-3-methylsulfanylbutan-2-amine?
N-methyl-3-methylsulfanylbutan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanylbutan-2-amine is sourced from PubChem (CID 58654798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).