N-methyl-N-methylsulfanylbutan-2-amine

C6H15NS — CID 123569080

IUPACN-methyl-N-methylsulfanylbutan-2-amine
SMILESCCC(C)N(C)SC
InChIInChI=1S/C6H15NS/c1-5-6(2)7(3)8-4/h6H,5H2,1-4H3
InChIKeyPFXHUNHRWKJRMJ-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.99
Rot. Bonds3

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

N-methyl-N-methylsulfanylbutan-2-amine (PubChem CID 123569080) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-methyl-N-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-N-methylsulfanylbutan-2-amine
PubChem CID123569080
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-methyl-N-methylsulfanylbutan-2-amine
SMILESCCC(C)N(C)SC
InChIInChI=1S/C6H15NS/c1-5-6(2)7(3)8-4/h6H,5H2,1-4H3
InChIKeyPFXHUNHRWKJRMJ-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine
CID 130249112
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
N-methyl-N-trimethylsilylbutan-2-amine
CID 12571867
N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine
CID 130248140
N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine
CID 142151631
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N,N-dimethyl-5-methylsulfanylhexan-3-amine
CID 177172917
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
N,N-dipropylbutan-2-amine
CID 524229
N-butan-2-yl-N-[di(butan-2-yl)amino]silylsilylbutan-2-amine
CID 123473093

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-N-methylsulfanylbutan-2-amine (CID 123569080) is N-methyl-N-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-N-methylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-N-methylsulfanylbutan-2-amine is CCC(C)N(C)SC.
What is the InChIKey of N-methyl-N-methylsulfanylbutan-2-amine?
The InChIKey is PFXHUNHRWKJRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-5-6(2)7(3)8-4/h6H,5H2,1-4H3.
What are the key properties of N-methyl-N-methylsulfanylbutan-2-amine?
N-methyl-N-methylsulfanylbutan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfanylbutan-2-amine is sourced from PubChem (CID 123569080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).