N-ethyl-1-methylsulfonylpropan-2-amine

C6H15NO2S — CID 54592972

IUPACN-ethyl-1-methylsulfonylpropan-2-amine
SMILESCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-7-6(2)5-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyQHBFJJFWKWVELK-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.03
Rot. Bonds4

About N-ethyl-1-methylsulfonylpropan-2-amine

N-ethyl-1-methylsulfonylpropan-2-amine (PubChem CID 54592972) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonylpropan-2-amine
PubChem CID54592972
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-ethyl-1-methylsulfonylpropan-2-amine
SMILESCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-7-6(2)5-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyQHBFJJFWKWVELK-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
(2-Methanesulfonylethyl)(methyl)amine
CID 3856040
3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248236
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-ethyl-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-ethyl-1-methylsulfonylpropan-2-amine (CID 54592972) is N-ethyl-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-ethyl-1-methylsulfonylpropan-2-amine is CCNC(C)CS(C)(=O)=O.
What is the InChIKey of N-ethyl-1-methylsulfonylpropan-2-amine?
The InChIKey is QHBFJJFWKWVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-7-6(2)5-10(3,8)9/h6-7H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-methylsulfonylpropan-2-amine?
N-ethyl-1-methylsulfonylpropan-2-amine has a molecular weight of 165.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 54592972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).