N,N-dimethyl-1-propan-2-ylsulfanylmethanamine

C6H15NS — CID 546984

IUPACN,N-dimethyl-1-propan-2-ylsulfanylmethanamine
SMILESCC(C)SCN(C)C
InChIInChI=1S/C6H15NS/c1-6(2)8-5-7(3)4/h6H,5H2,1-4H3
InChIKeyYIDMWNMGKXPXPG-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.65
Rot. Bonds3

About N,N-dimethyl-1-propan-2-ylsulfanylmethanamine

N,N-dimethyl-1-propan-2-ylsulfanylmethanamine (PubChem CID 546984) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylsulfanylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylsulfanylmethanamine
PubChem CID546984
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN,N-dimethyl-1-propan-2-ylsulfanylmethanamine
SMILESCC(C)SCN(C)C
InChIInChI=1S/C6H15NS/c1-6(2)8-5-7(3)4/h6H,5H2,1-4H3
InChIKeyYIDMWNMGKXPXPG-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-propan-2-ylsulfanylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylsulfanylmethanamine?
The IUPAC name of N,N-dimethyl-1-propan-2-ylsulfanylmethanamine (CID 546984) is N,N-dimethyl-1-propan-2-ylsulfanylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylsulfanylmethanamine?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylsulfanylmethanamine is CC(C)SCN(C)C.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylsulfanylmethanamine?
The InChIKey is YIDMWNMGKXPXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-6(2)8-5-7(3)4/h6H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-1-propan-2-ylsulfanylmethanamine?
N,N-dimethyl-1-propan-2-ylsulfanylmethanamine has a molecular weight of 133.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylsulfanylmethanamine is sourced from PubChem (CID 546984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).