2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine

C11H24N2S — CID 43394916

IUPAC2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCSCC1
InChIInChI=1S/C11H24N2S/c1-11(2,13(3)4)9-12-10-5-7-14-8-6-10/h10,12H,5-9H2,1-4H3
InChIKeyOPAMWNQZJDJRNS-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds4

About 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine (PubChem CID 43394916) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine
PubChem CID43394916
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCSCC1
InChIInChI=1S/C11H24N2S/c1-11(2,13(3)4)9-12-10-5-7-14-8-6-10/h10,12H,5-9H2,1-4H3
InChIKeyOPAMWNQZJDJRNS-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine 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 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine (CID 43394916) is 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine is CN(C)C(C)(C)CNC1CCSCC1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine?
The InChIKey is OPAMWNQZJDJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-11(2,13(3)4)9-12-10-5-7-14-8-6-10/h10,12H,5-9H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine is sourced from PubChem (CID 43394916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).