N-methyl-3-methylsulfonylbutan-2-amine

C6H15NO2S — CID 54593119

IUPACN-methyl-3-methylsulfonylbutan-2-amine
SMILESCNC(C)C(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(7-3)6(2)10(4,8)9/h5-7H,1-4H3
InChIKeySFQYXJFZOHIBIU-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.03
Rot. Bonds3

About N-methyl-3-methylsulfonylbutan-2-amine

N-methyl-3-methylsulfonylbutan-2-amine (PubChem CID 54593119) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-methyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonylbutan-2-amine
PubChem CID54593119
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-methyl-3-methylsulfonylbutan-2-amine
SMILESCNC(C)C(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(7-3)6(2)10(4,8)9/h5-7H,1-4H3
InChIKeySFQYXJFZOHIBIU-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.03
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
(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
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
(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
(2-Methanesulfonylethyl)(propan-2-yl)amine
CID 60708370
N-(2-methanesulfonylethyl)cyclopropanamine
CID 60712135

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of N-methyl-3-methylsulfonylbutan-2-amine (CID 54593119) is N-methyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonylbutan-2-amine is CNC(C)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonylbutan-2-amine?
The InChIKey is SFQYXJFZOHIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5(7-3)6(2)10(4,8)9/h5-7H,1-4H3.
What are the key properties of N-methyl-3-methylsulfonylbutan-2-amine?
N-methyl-3-methylsulfonylbutan-2-amine has a molecular weight of 165.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 54593119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).