N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine

C12H30ClN3S — CID 12750164

IUPACN-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine
SMILESCCN(CC)S(Cl)(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30ClN3S/c1-7-14(8-2)17(13,15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3
InChIKeyUICXYUKWMAJYMG-UHFFFAOYSA-N
MW283.91 g/mol
LogP3.72
Rot. Bonds9

About N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine

N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine (PubChem CID 12750164) has the molecular formula C12H30ClN3S and a molecular weight of 283.91 g/mol. Its IUPAC name is N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine
PubChem CID12750164
Molecular FormulaC12H30ClN3S
Molecular Weight283.91 g/mol
Exact Mass283.18
IUPAC NameN-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine
SMILESCCN(CC)S(Cl)(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30ClN3S/c1-7-14(8-2)17(13,15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3
InChIKeyUICXYUKWMAJYMG-UHFFFAOYSA-N
XLogP3.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.91
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine 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-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine?
The IUPAC name of N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine (CID 12750164) is N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine.
What is the SMILES notation for N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine?
The canonical SMILES for N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine is CCN(CC)S(Cl)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine?
The InChIKey is UICXYUKWMAJYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30ClN3S/c1-7-14(8-2)17(13,15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3.
What are the key properties of N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine?
N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine has a molecular weight of 283.91 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-bis(diethylamino)-lambda4-sulfanyl]-N-ethylethanamine is sourced from PubChem (CID 12750164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).