1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine

C8H18ClNO2S — CID 106731281

IUPAC1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
SMILESCCS(=O)(=O)CCN(C)C(C)CCl
InChIInChI=1S/C8H18ClNO2S/c1-4-13(11,12)6-5-10(3)8(2)7-9/h8H,4-7H2,1-3H3
InChIKeyUADKPIWBCDESGM-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.98
Rot. Bonds6

About 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine

1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine (PubChem CID 106731281) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
PubChem CID106731281
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
SMILESCCS(=O)(=O)CCN(C)C(C)CCl
InChIInChI=1S/C8H18ClNO2S/c1-4-13(11,12)6-5-10(3)8(2)7-9/h8H,4-7H2,1-3H3
InChIKeyUADKPIWBCDESGM-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107
3-[methyl(2-propylsulfonylethyl)amino]butanethioamide
CID 106724853
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104555151
2-[butan-2-yl(methyl)amino]ethanesulfonic acid
CID 170225415
N-(2-chloroethyl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106730904
N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide
CID 104556500
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
CID 106725449
1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol
CID 62333760
3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730857
N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
CID 164964311
1-propylsulfonylpropane
CID 11709
3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride
CID 112594598

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine?
The IUPAC name of 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine (CID 106731281) is 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine is CCS(=O)(=O)CCN(C)C(C)CCl.
What is the InChIKey of 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine?
The InChIKey is UADKPIWBCDESGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-4-13(11,12)6-5-10(3)8(2)7-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine?
1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine has a molecular weight of 227.76 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 106731281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).