3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride

C6H18Cl2N2O2S — CID 14585889

IUPAC3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCS(=O)(=O)CCCN
InChIInChI=1S/C6H16N2O2S.2ClH/c7-3-1-5-11(9,10)6-2-4-8;;/h1-8H2;2*1H
InChIKeyOAFANWHZLQNEKD-UHFFFAOYSA-N
MW253.19 g/mol
LogP-0.06
Rot. Bonds6

About 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride

3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride (PubChem CID 14585889) has the molecular formula C6H18Cl2N2O2S and a molecular weight of 253.19 g/mol. Its IUPAC name is 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
PubChem CID14585889
Molecular FormulaC6H18Cl2N2O2S
Molecular Weight253.19 g/mol
Exact Mass252.05
IUPAC Name3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCS(=O)(=O)CCCN
InChIInChI=1S/C6H16N2O2S.2ClH/c7-3-1-5-11(9,10)6-2-4-8;;/h1-8H2;2*1H
InChIKeyOAFANWHZLQNEKD-UHFFFAOYSA-N
XLogP-0.06
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride 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

3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
3-butylsulfonylpropan-1-amine
CID 43615632
2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
CID 131728699
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
3-(3,4,4-trifluorobut-3-enylsulfonyl)propan-1-amine
CID 58684554
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
5-butylsulfonylpentan-1-amine
CID 64698649
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
5-ethylsulfonylpentan-1-amine
CID 54172156

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride (CID 14585889) is 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCS(=O)(=O)CCCN.
What is the InChIKey of 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride?
The InChIKey is OAFANWHZLQNEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S.2ClH/c7-3-1-5-11(9,10)6-2-4-8;;/h1-8H2;2*1H.
What are the key properties of 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride?
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride has a molecular weight of 253.19 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 14585889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).