(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine

C9H19NO3S — CID 138573012

IUPAC(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine
SMILESCCS(=O)(=O)/C=C/CN(C)CCOC
InChIInChI=1S/C9H19NO3S/c1-4-14(11,12)9-5-6-10(2)7-8-13-3/h5,9H,4,6-8H2,1-3H3/b9-5+
InChIKeyBIUBCGCVAHHTCZ-WEVVVXLNSA-N
MW221.32 g/mol
LogP0.51
Rot. Bonds7

About (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine

(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine (PubChem CID 138573012) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine
PubChem CID138573012
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine
SMILESCCS(=O)(=O)/C=C/CN(C)CCOC
InChIInChI=1S/C9H19NO3S/c1-4-14(11,12)9-5-6-10(2)7-8-13-3/h5,9H,4,6-8H2,1-3H3/b9-5+
InChIKeyBIUBCGCVAHHTCZ-WEVVVXLNSA-N
XLogP0.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-ethylsulfonyl-3-methoxyprop-1-ene
CID 99990264
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
ethene;N-(2-methoxyethyl)-N-methylpropan-1-amine
CID 143338989
1,6-bis(ethylsulfonyl)hexa-1,3,5-triene
CID 57048521
1-ethylsulfonylpent-1-ene
CID 57276747
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
(E)-4-[2-ethoxyethyl(methyl)amino]but-2-ene-1-thiol
CID 81064415
formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate
CID 176995754
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine (CID 138573012) is (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine is CCS(=O)(=O)/C=C/CN(C)CCOC.
What is the InChIKey of (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine?
The InChIKey is BIUBCGCVAHHTCZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-14(11,12)9-5-6-10(2)7-8-13-3/h5,9H,4,6-8H2,1-3H3/b9-5+.
What are the key properties of (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine?
(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine has a molecular weight of 221.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 138573012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).