N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine

C11H23NOS — CID 107762583

IUPACN,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine
SMILESCNC(CSC1CCOC1C)C(C)C
InChIInChI=1S/C11H23NOS/c1-8(2)10(12-4)7-14-11-5-6-13-9(11)3/h8-12H,5-7H2,1-4H3
InChIKeyHWHIWQAWISWWSQ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.14
Rot. Bonds5

About N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine

N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine (PubChem CID 107762583) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine
PubChem CID107762583
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine
SMILESCNC(CSC1CCOC1C)C(C)C
InChIInChI=1S/C11H23NOS/c1-8(2)10(12-4)7-14-11-5-6-13-9(11)3/h8-12H,5-7H2,1-4H3
InChIKeyHWHIWQAWISWWSQ-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-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,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine?
The IUPAC name of N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine (CID 107762583) is N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine is CNC(CSC1CCOC1C)C(C)C.
What is the InChIKey of N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine?
The InChIKey is HWHIWQAWISWWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-8(2)10(12-4)7-14-11-5-6-13-9(11)3/h8-12H,5-7H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine?
N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 107762583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).