2-methylsulfanylbutan-2-amine

C5H13NS — CID 123436827

IUPAC2-methylsulfanylbutan-2-amine
SMILESCCC(C)(N)SC
InChIInChI=1S/C5H13NS/c1-4-5(2,6)7-3/h4,6H2,1-3H3
InChIKeyHNBOSMXWUWIKFG-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.43
Rot. Bonds2

About 2-methylsulfanylbutan-2-amine

2-methylsulfanylbutan-2-amine (PubChem CID 123436827) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is 2-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name2-methylsulfanylbutan-2-amine
PubChem CID123436827
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name2-methylsulfanylbutan-2-amine
SMILESCCC(C)(N)SC
InChIInChI=1S/C5H13NS/c1-4-5(2,6)7-3/h4,6H2,1-3H3
InChIKeyHNBOSMXWUWIKFG-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Propanamine, 2-methyl-1-(methylthio)-
CID 12097380
2-Ethylsulfanylpropan-2-amine
CID 87997679
2-(Methylthio)propan-2-amine
CID 88936861
2-Propan-2-ylsulfanylpropan-2-amine
CID 117032548
1-Methylsulfanylcyclopropan-1-amine
CID 117035876
2-Aminopropan-2-yl methanedithioate
CID 126728874
N-iodo-2-methylsulfanylpropan-2-amine
CID 129028496
2-Methylsulfanylpentan-2-amine
CID 130467814
1-Methylsulfanylcyclobutan-1-amine
CID 132253208
3-Methyl-2-methylsulfanylbutan-2-amine
CID 146253361
2-[Methyl(methylidene)-lambda4-sulfanyl]propan-2-amine
CID 164056583
2-(2-Aminobutan-2-ylsulfanyl)ethanethiol
CID 166668689

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylbutan-2-amine?
The IUPAC name of 2-methylsulfanylbutan-2-amine (CID 123436827) is 2-methylsulfanylbutan-2-amine.
What is the SMILES notation for 2-methylsulfanylbutan-2-amine?
The canonical SMILES for 2-methylsulfanylbutan-2-amine is CCC(C)(N)SC.
What is the InChIKey of 2-methylsulfanylbutan-2-amine?
The InChIKey is HNBOSMXWUWIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-4-5(2,6)7-3/h4,6H2,1-3H3.
What are the key properties of 2-methylsulfanylbutan-2-amine?
2-methylsulfanylbutan-2-amine has a molecular weight of 119.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylbutan-2-amine is sourced from PubChem (CID 123436827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).