N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine

C9H20N2S — CID 80585245

IUPACN',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCC1CCCS1
InChIInChI=1S/C9H20N2S/c1-11(2)6-5-10-8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3
InChIKeySYRLOYXVYFRRJW-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.03
Rot. Bonds5

About N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 80585245) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID80585245
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCC1CCCS1
InChIInChI=1S/C9H20N2S/c1-11(2)6-5-10-8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3
InChIKeySYRLOYXVYFRRJW-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-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 N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine (CID 80585245) is N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine is CN(C)CCNCC1CCCS1.
What is the InChIKey of N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is SYRLOYXVYFRRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-11(2)6-5-10-8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(thiolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 80585245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).