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

C4H14Cl2N2OS — CID 170912715

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 Name3-(methylsulfonimidoyl)propan-1-amine;dihydrochloride
PubChem CID170912715
Molecular FormulaC4H14Cl2N2OS
Molecular Weight209.14 g/mol
Exact Mass208.02
IUPAC Name3-(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
XLogP0.86
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
butane-1,4-diamine;methanesulfonic acid
CID 160759082
imino-methyl-oxo-pent-4-ynyl-λ6-sulfane
CID 146049743
9-methylsulfonylnonan-1-amine
CID 101417644
5-(methylsulfonimidoyl)pentanoic acid
CID 175002689
3-butylsulfonylpropan-1-amine
CID 43615632
3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine
CID 143992140
lithium 3-aminopropane-1-sulfonate
CID 118523249
strontium bis(3-aminopropane-1-sulfonate)
CID 87367236
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
5-ethylsulfonylpentan-1-amine
CID 54172156
potassium;3-aminopropane-1-sulfonic acid;chloride
CID 172840895

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).