N-(1-methylsulfanylethyl)propan-1-amine

C6H15NS — CID 123683201

IUPACN-(1-methylsulfanylethyl)propan-1-amine
SMILESCCCNC(C)SC
InChIInChI=1S/C6H15NS/c1-4-5-7-6(2)8-3/h6-7H,4-5H2,1-3H3
InChIKeyLTSDBOMLCPNTKQ-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.70
Rot. Bonds4

About N-(1-methylsulfanylethyl)propan-1-amine

N-(1-methylsulfanylethyl)propan-1-amine (PubChem CID 123683201) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-(1-methylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylethyl)propan-1-amine
PubChem CID123683201
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-(1-methylsulfanylethyl)propan-1-amine
SMILESCCCNC(C)SC
InChIInChI=1S/C6H15NS/c1-4-5-7-6(2)8-3/h6-7H,4-5H2,1-3H3
InChIKeyLTSDBOMLCPNTKQ-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.70
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-(1-methylsulfanylethyl)propan-1-amine?
The IUPAC name of N-(1-methylsulfanylethyl)propan-1-amine (CID 123683201) is N-(1-methylsulfanylethyl)propan-1-amine.
What is the SMILES notation for N-(1-methylsulfanylethyl)propan-1-amine?
The canonical SMILES for N-(1-methylsulfanylethyl)propan-1-amine is CCCNC(C)SC.
What is the InChIKey of N-(1-methylsulfanylethyl)propan-1-amine?
The InChIKey is LTSDBOMLCPNTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-5-7-6(2)8-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(1-methylsulfanylethyl)propan-1-amine?
N-(1-methylsulfanylethyl)propan-1-amine has a molecular weight of 133.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 123683201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).