N'-(2-ethylsulfonylethyl)propane-1,3-diamine

C7H18N2O2S — CID 62273153

IUPACN'-(2-ethylsulfonylethyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCNCCCN
InChIInChI=1S/C7H18N2O2S/c1-2-12(10,11)7-6-9-5-3-4-8/h9H,2-8H2,1H3
InChIKeyGJQYDRDYALXJHM-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.64
Rot. Bonds7

About N'-(2-ethylsulfonylethyl)propane-1,3-diamine

N'-(2-ethylsulfonylethyl)propane-1,3-diamine (PubChem CID 62273153) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N'-(2-ethylsulfonylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfonylethyl)propane-1,3-diamine
PubChem CID62273153
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN'-(2-ethylsulfonylethyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCNCCCN
InChIInChI=1S/C7H18N2O2S/c1-2-12(10,11)7-6-9-5-3-4-8/h9H,2-8H2,1H3
InChIKeyGJQYDRDYALXJHM-UHFFFAOYSA-N
XLogP-0.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-ethylsulfonylethyl)propane-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

Related Compounds

2-(3-aminopropylamino)-N-methylethanesulfonamide
CID 106333620
2-(3-aminopropylamino)ethanesulfonic acid;azane
CID 174955482
N-(2-ethylsulfonylethyl)-3-methylsulfanylpropan-1-amine
CID 63964934
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine
CID 19744980
4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
CID 106121689
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
5-ethylsulfonylpentan-1-amine
CID 54172156
N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
CID 88877324
N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
CID 106010216
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-ethylsulfonylethyl)propane-1,3-diamine (CID 62273153) is N'-(2-ethylsulfonylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-ethylsulfonylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-ethylsulfonylethyl)propane-1,3-diamine is CCS(=O)(=O)CCNCCCN.
What is the InChIKey of N'-(2-ethylsulfonylethyl)propane-1,3-diamine?
The InChIKey is GJQYDRDYALXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-2-12(10,11)7-6-9-5-3-4-8/h9H,2-8H2,1H3.
What are the key properties of N'-(2-ethylsulfonylethyl)propane-1,3-diamine?
N'-(2-ethylsulfonylethyl)propane-1,3-diamine has a molecular weight of 194.30 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylethyl)propane-1,3-diamine is sourced from PubChem (CID 62273153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).