1-methylsulfonylpropan-2-amine;hydrochloride

C4H12ClNO2S — CID 54593155

IUPAC1-methylsulfonylpropan-2-amine;hydrochloride
SMILESCC(N)CS(C)(=O)=O.Cl
InChIInChI=1S/C4H11NO2S.ClH/c1-4(5)3-8(2,6)7;/h4H,3,5H2,1-2H3;1H
InChIKeyGEMOSNJUPNGFRO-UHFFFAOYSA-N
MW173.66 g/mol
LogP-0.20
Rot. Bonds2

About 1-methylsulfonylpropan-2-amine;hydrochloride

1-methylsulfonylpropan-2-amine;hydrochloride (PubChem CID 54593155) has the molecular formula C4H12ClNO2S and a molecular weight of 173.66 g/mol. Its IUPAC name is 1-methylsulfonylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-methylsulfonylpropan-2-amine;hydrochloride
PubChem CID54593155
Molecular FormulaC4H12ClNO2S
Molecular Weight173.66 g/mol
Exact Mass173.03
IUPAC Name1-methylsulfonylpropan-2-amine;hydrochloride
SMILESCC(N)CS(C)(=O)=O.Cl
InChIInChI=1S/C4H11NO2S.ClH/c1-4(5)3-8(2,6)7;/h4H,3,5H2,1-2H3;1H
InChIKeyGEMOSNJUPNGFRO-UHFFFAOYSA-N
XLogP-0.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.66
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpropan-2-amine;hydrochloride?
The IUPAC name of 1-methylsulfonylpropan-2-amine;hydrochloride (CID 54593155) is 1-methylsulfonylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-methylsulfonylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-methylsulfonylpropan-2-amine;hydrochloride is CC(N)CS(C)(=O)=O.Cl.
What is the InChIKey of 1-methylsulfonylpropan-2-amine;hydrochloride?
The InChIKey is GEMOSNJUPNGFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S.ClH/c1-4(5)3-8(2,6)7;/h4H,3,5H2,1-2H3;1H.
What are the key properties of 1-methylsulfonylpropan-2-amine;hydrochloride?
1-methylsulfonylpropan-2-amine;hydrochloride has a molecular weight of 173.66 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpropan-2-amine;hydrochloride is sourced from PubChem (CID 54593155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).