1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine

C11H24N2O3S2 — CID 66377574

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(N)CCOC
InChIInChI=1S/C11H24N2O3S2/c1-3-18(14,15)11-9-17-7-5-13(11)8-10(12)4-6-16-2/h10-11H,3-9,12H2,1-2H3
InChIKeyHHFXSRAXDHGWHM-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.16
Rot. Bonds7

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine

1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine (PubChem CID 66377574) has the molecular formula C11H24N2O3S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
PubChem CID66377574
Molecular FormulaC11H24N2O3S2
Molecular Weight296.46 g/mol
Exact Mass296.12
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(N)CCOC
InChIInChI=1S/C11H24N2O3S2/c1-3-18(14,15)11-9-17-7-5-13(11)8-10(12)4-6-16-2/h10-11H,3-9,12H2,1-2H3
InChIKeyHHFXSRAXDHGWHM-UHFFFAOYSA-N
XLogP0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
4-(2,2-diethoxyethyl)-3-ethylsulfonylthiomorpholine
CID 66376930
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
CID 112736888
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682301
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
CID 66377137
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368769
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine (CID 66377574) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine is CCS(=O)(=O)C1CSCCN1CC(N)CCOC.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine?
The InChIKey is HHFXSRAXDHGWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S2/c1-3-18(14,15)11-9-17-7-5-13(11)8-10(12)4-6-16-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine?
1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine has a molecular weight of 296.46 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 66377574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).