N-ethyl-1-ethylsulfonylpropan-2-amine

C7H17NO2S — CID 54593046

IUPACN-ethyl-1-ethylsulfonylpropan-2-amine
SMILESCCNC(C)CS(=O)(=O)CC
InChIInChI=1S/C7H17NO2S/c1-4-8-7(3)6-11(9,10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyONINZFLRQKPHGB-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.42
Rot. Bonds5

About N-ethyl-1-ethylsulfonylpropan-2-amine

N-ethyl-1-ethylsulfonylpropan-2-amine (PubChem CID 54593046) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfonylpropan-2-amine
PubChem CID54593046
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-ethyl-1-ethylsulfonylpropan-2-amine
SMILESCCNC(C)CS(=O)(=O)CC
InChIInChI=1S/C7H17NO2S/c1-4-8-7(3)6-11(9,10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyONINZFLRQKPHGB-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
4-Methanesulfonylbutan-2-amine
CID 23562465
N-butyl-1,1-dioxothiolan-3-amine
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
(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
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248236
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-ethylsulfonylpropan-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfonylpropan-2-amine (CID 54593046) is N-ethyl-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfonylpropan-2-amine is CCNC(C)CS(=O)(=O)CC.
What is the InChIKey of N-ethyl-1-ethylsulfonylpropan-2-amine?
The InChIKey is ONINZFLRQKPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-8-7(3)6-11(9,10)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-ethylsulfonylpropan-2-amine?
N-ethyl-1-ethylsulfonylpropan-2-amine has a molecular weight of 179.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 54593046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).