N-methyl-1-methylsulfanylpropan-1-amine

C5H13NS — CID 146392818

IUPACN-methyl-1-methylsulfanylpropan-1-amine
SMILESCCC(NC)SC
InChIInChI=1S/C5H13NS/c1-4-5(6-2)7-3/h5-6H,4H2,1-3H3
InChIKeyGHSOYKKDVYHXHR-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.30
Rot. Bonds3

About N-methyl-1-methylsulfanylpropan-1-amine

N-methyl-1-methylsulfanylpropan-1-amine (PubChem CID 146392818) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is N-methyl-1-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanylpropan-1-amine
PubChem CID146392818
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC NameN-methyl-1-methylsulfanylpropan-1-amine
SMILESCCC(NC)SC
InChIInChI=1S/C5H13NS/c1-4-5(6-2)7-3/h5-6H,4H2,1-3H3
InChIKeyGHSOYKKDVYHXHR-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.30
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanylpropan-1-amine?
The IUPAC name of N-methyl-1-methylsulfanylpropan-1-amine (CID 146392818) is N-methyl-1-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-1-methylsulfanylpropan-1-amine?
The canonical SMILES for N-methyl-1-methylsulfanylpropan-1-amine is CCC(NC)SC.
What is the InChIKey of N-methyl-1-methylsulfanylpropan-1-amine?
The InChIKey is GHSOYKKDVYHXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-4-5(6-2)7-3/h5-6H,4H2,1-3H3.
What are the key properties of N-methyl-1-methylsulfanylpropan-1-amine?
N-methyl-1-methylsulfanylpropan-1-amine has a molecular weight of 119.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanylpropan-1-amine is sourced from PubChem (CID 146392818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).