1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine

C11H24N2S — CID 66454701

IUPAC1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine
SMILESCC(N)C(C)(C)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-9(12)11(2,3)8-13(4)10-5-6-14-7-10/h9-10H,5-8,12H2,1-4H3
InChIKeyNWFWVUIEHGBUKG-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds4

About 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine

1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine (PubChem CID 66454701) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine
PubChem CID66454701
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine
SMILESCC(N)C(C)(C)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-9(12)11(2,3)8-13(4)10-5-6-14-7-10/h9-10H,5-8,12H2,1-4H3
InChIKeyNWFWVUIEHGBUKG-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-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 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine (CID 66454701) is 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine is CC(N)C(C)(C)CN(C)C1CCSC1.
What is the InChIKey of 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine?
The InChIKey is NWFWVUIEHGBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-9(12)11(2,3)8-13(4)10-5-6-14-7-10/h9-10H,5-8,12H2,1-4H3.
What are the key properties of 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine?
1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine is sourced from PubChem (CID 66454701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).