2-methyl-2-methylsulfanylpropan-1-amine

C5H13NS — CID 20763153

IUPAC2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CN
InChIInChI=1S/C5H13NS/c1-5(2,4-6)7-3/h4,6H2,1-3H3
InChIKeyLWAXRLLIANZTNW-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.09
Rot. Bonds2

About 2-methyl-2-methylsulfanylpropan-1-amine

2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 20763153) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID20763153
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CN
InChIInChI=1S/C5H13NS/c1-5(2,4-6)7-3/h4,6H2,1-3H3
InChIKeyLWAXRLLIANZTNW-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfanylpropan-1-amine (CID 20763153) is 2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfanylpropan-1-amine is CSC(C)(C)CN.
What is the InChIKey of 2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is LWAXRLLIANZTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-5(2,4-6)7-3/h4,6H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfanylpropan-1-amine?
2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 119.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 20763153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).