N,N-dimethyl-3-methylsulfanylbutan-2-amine

C7H17NS — CID 13481474

IUPACN,N-dimethyl-3-methylsulfanylbutan-2-amine
SMILESCSC(C)C(C)N(C)C
InChIInChI=1S/C7H17NS/c1-6(8(3)4)7(2)9-5/h6-7H,1-5H3
InChIKeyGVWUWHCWUNXCRG-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds3

About N,N-dimethyl-3-methylsulfanylbutan-2-amine

N,N-dimethyl-3-methylsulfanylbutan-2-amine (PubChem CID 13481474) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N,N-dimethyl-3-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-methylsulfanylbutan-2-amine
PubChem CID13481474
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN,N-dimethyl-3-methylsulfanylbutan-2-amine
SMILESCSC(C)C(C)N(C)C
InChIInChI=1S/C7H17NS/c1-6(8(3)4)7(2)9-5/h6-7H,1-5H3
InChIKeyGVWUWHCWUNXCRG-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-3-methylsulfanylbutan-2-amine 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-3-methylsulfanylbutan-2-amine?
The IUPAC name of N,N-dimethyl-3-methylsulfanylbutan-2-amine (CID 13481474) is N,N-dimethyl-3-methylsulfanylbutan-2-amine.
What is the SMILES notation for N,N-dimethyl-3-methylsulfanylbutan-2-amine?
The canonical SMILES for N,N-dimethyl-3-methylsulfanylbutan-2-amine is CSC(C)C(C)N(C)C.
What is the InChIKey of N,N-dimethyl-3-methylsulfanylbutan-2-amine?
The InChIKey is GVWUWHCWUNXCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-6(8(3)4)7(2)9-5/h6-7H,1-5H3.
What are the key properties of N,N-dimethyl-3-methylsulfanylbutan-2-amine?
N,N-dimethyl-3-methylsulfanylbutan-2-amine has a molecular weight of 147.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylsulfanylbutan-2-amine is sourced from PubChem (CID 13481474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).