N,N-dimethyl-2-methylsulfanylethanamine

C5H13NS — CID 2780370

IUPACN,N-dimethyl-2-methylsulfanylethanamine
SMILESCSCCN(C)C
InChIInChI=1S/C5H13NS/c1-6(2)4-5-7-3/h4-5H2,1-3H3
InChIKeyOTMMCRBCJDEJKA-UHFFFAOYSA-N
MW119.23 g/mol
LogP0.91
Rot. Bonds3

About N,N-dimethyl-2-methylsulfanylethanamine

N,N-dimethyl-2-methylsulfanylethanamine (PubChem CID 2780370) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanylethanamine
PubChem CID2780370
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC NameN,N-dimethyl-2-methylsulfanylethanamine
SMILESCSCCN(C)C
InChIInChI=1S/C5H13NS/c1-6(2)4-5-7-3/h4-5H2,1-3H3
InChIKeyOTMMCRBCJDEJKA-UHFFFAOYSA-N
XLogP0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-methylsulfanylethanamine (CID 2780370) is N,N-dimethyl-2-methylsulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanylethanamine is CSCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanylethanamine?
The InChIKey is OTMMCRBCJDEJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-6(2)4-5-7-3/h4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanylethanamine?
N,N-dimethyl-2-methylsulfanylethanamine has a molecular weight of 119.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanylethanamine is sourced from PubChem (CID 2780370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).