N-methyl-1-methylsulfonylpropan-2-amine

C5H13NO2S — CID 54592895

IUPACN-methyl-1-methylsulfonylpropan-2-amine
SMILESCNC(C)CS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(6-2)4-9(3,7)8/h5-6H,4H2,1-3H3
InChIKeyCLOKUBNHFJZPQC-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.36
Rot. Bonds3

About N-methyl-1-methylsulfonylpropan-2-amine

N-methyl-1-methylsulfonylpropan-2-amine (PubChem CID 54592895) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylpropan-2-amine
PubChem CID54592895
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-methyl-1-methylsulfonylpropan-2-amine
SMILESCNC(C)CS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(6-2)4-9(3,7)8/h5-6H,4H2,1-3H3
InChIKeyCLOKUBNHFJZPQC-UHFFFAOYSA-N
XLogP-0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
4-Methanesulfonylbutan-2-amine
CID 23562465
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 2770817
[1-(Ethanesulfonyl)propan-2-yl](ethyl)amine
CID 54593046
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
(2-Methanesulfonylethyl)(methyl)amine
CID 3856040
3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248236
4-(methylamino)tetrahydro-2H-thiopyran-1,1-dioxide hydrochloride
CID 50944287
1-Methanesulfonylpropan-2-amine hydrochloride
CID 54593155
Tert-butyl(2-methanesulfonylethyl)amine
CID 60147188
(2-Methanesulfonylethyl)(propan-2-yl)amine
CID 60708370

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-methyl-1-methylsulfonylpropan-2-amine (CID 54592895) is N-methyl-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfonylpropan-2-amine is CNC(C)CS(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonylpropan-2-amine?
The InChIKey is CLOKUBNHFJZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(6-2)4-9(3,7)8/h5-6H,4H2,1-3H3.
What are the key properties of N-methyl-1-methylsulfonylpropan-2-amine?
N-methyl-1-methylsulfonylpropan-2-amine has a molecular weight of 151.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 54592895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).