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

Name: 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄H₁₄Cl₂N₂OS — CID 170912715

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride

SMILESCl.Cl.[H]N=S(C)(=O)CCCN

InChIInChI=1S/C4H12N2OS.2ClH/c1-8(6,7)4-2-3-5;;/h6H,2-5H2,1H3;2*1H

InChIKeyPPZXRBQRGDEPDB-UHFFFAOYSA-N

MW209.14 g/mol

LogP0.86

Rot. Bonds3

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

3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride (PubChem CID 170912715) has the molecular formula C₄H₁₄Cl₂N₂OS and a molecular weight of 209.14 g/mol. Its IUPAC name is 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name	3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride
PubChem CID	170912715
Molecular Formula	C₄H₁₄Cl₂N₂OS
Molecular Weight	209.14 g/mol
Exact Mass	208.02
IUPAC Name	3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride
SMILES	Cl.Cl.[H]N=S(C)(=O)CCCN
InChI	InChI=1S/C4H12N2OS.2ClH/c1-8(6,7)4-2-3-5;;/h6H,2-5H2,1H3;2*1H
InChIKey	PPZXRBQRGDEPDB-UHFFFAOYSA-N
XLogP	0.86
TPSA	66.94 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	10
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.14
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride?

The IUPAC name of 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride (CID 170912715) is 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride.

What is the SMILES notation for 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride?

The canonical SMILES for 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride is Cl.Cl.[H]N=S(C)(=O)CCCN.

What is the InChIKey of 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride?

The InChIKey is PPZXRBQRGDEPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2OS.2ClH/c1-8(6,7)4-2-3-5;;/h6H,2-5H2,1H3;2*1H.

What are the key properties of 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride?

3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride has a molecular weight of 209.14 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 170912715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 170912715 — identifiers, structure, computed properties (public domain)

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