N-methylmethanamine;1-methylsulfonylpropane;hydrochloride

C6H18ClNO2S — CID 87715398

IUPACN-methylmethanamine;1-methylsulfonylpropane;hydrochloride
SMILESCCCS(C)(=O)=O.CNC.Cl
InChIInChI=1S/C4H10O2S.C2H7N.ClH/c1-3-4-7(2,5)6;1-3-2;/h3-4H2,1-2H3;3H,1-2H3;1H
InChIKeyLYPMBTZZQWMJPG-UHFFFAOYSA-N
MW203.73 g/mol
LogP0.70
Rot. Bonds2

About N-methylmethanamine;1-methylsulfonylpropane;hydrochloride

N-methylmethanamine;1-methylsulfonylpropane;hydrochloride (PubChem CID 87715398) has the molecular formula C6H18ClNO2S and a molecular weight of 203.73 g/mol. Its IUPAC name is N-methylmethanamine;1-methylsulfonylpropane;hydrochloride.

Molecular Properties

Compound NameN-methylmethanamine;1-methylsulfonylpropane;hydrochloride
PubChem CID87715398
Molecular FormulaC6H18ClNO2S
Molecular Weight203.73 g/mol
Exact Mass203.07
IUPAC NameN-methylmethanamine;1-methylsulfonylpropane;hydrochloride
SMILESCCCS(C)(=O)=O.CNC.Cl
InChIInChI=1S/C4H10O2S.C2H7N.ClH/c1-3-4-7(2,5)6;1-3-2;/h3-4H2,1-2H3;3H,1-2H3;1H
InChIKeyLYPMBTZZQWMJPG-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.73
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;1-methylsulfonylpropane;hydrochloride?
The IUPAC name of N-methylmethanamine;1-methylsulfonylpropane;hydrochloride (CID 87715398) is N-methylmethanamine;1-methylsulfonylpropane;hydrochloride.
What is the SMILES notation for N-methylmethanamine;1-methylsulfonylpropane;hydrochloride?
The canonical SMILES for N-methylmethanamine;1-methylsulfonylpropane;hydrochloride is CCCS(C)(=O)=O.CNC.Cl.
What is the InChIKey of N-methylmethanamine;1-methylsulfonylpropane;hydrochloride?
The InChIKey is LYPMBTZZQWMJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.C2H7N.ClH/c1-3-4-7(2,5)6;1-3-2;/h3-4H2,1-2H3;3H,1-2H3;1H.
What are the key properties of N-methylmethanamine;1-methylsulfonylpropane;hydrochloride?
N-methylmethanamine;1-methylsulfonylpropane;hydrochloride has a molecular weight of 203.73 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;1-methylsulfonylpropane;hydrochloride is sourced from PubChem (CID 87715398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).