N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine

C9H20N2S — CID 83817833

IUPACN'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)C1CSC1
InChIInChI=1S/C9H20N2S/c1-8(2)5-11(4-3-10)9-6-12-7-9/h8-9H,3-7,10H2,1-2H3
InChIKeyPVQFXLOAYDNETP-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.02
Rot. Bonds5

About N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine

N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine (PubChem CID 83817833) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine
PubChem CID83817833
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)C1CSC1
InChIInChI=1S/C9H20N2S/c1-8(2)5-11(4-3-10)9-6-12-7-9/h8-9H,3-7,10H2,1-2H3
InChIKeyPVQFXLOAYDNETP-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(2-methylpropyl)-N'-(thietan-3-yl)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'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine (CID 83817833) is N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine is CC(C)CN(CCN)C1CSC1.
What is the InChIKey of N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
The InChIKey is PVQFXLOAYDNETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(2)5-11(4-3-10)9-6-12-7-9/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 83817833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).