2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone

C14H20N2O3S2 — CID 66378129

IUPAC2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C14H20N2O3S2/c1-2-21(18,19)14-11-20-9-8-16(14)13(17)10-15-12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3
InChIKeyBXJYWAFBGWVPEQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.43
Rot. Bonds5

About 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone

2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone (PubChem CID 66378129) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
PubChem CID66378129
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C14H20N2O3S2/c1-2-21(18,19)14-11-20-9-8-16(14)13(17)10-15-12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3
InChIKeyBXJYWAFBGWVPEQ-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfonyl-N-phenylthiomorpholine-4-carbothioamide
CID 116509280
2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 79256888
3-ethylsulfonyl-N'-phenylthiomorpholine-4-carboximidamide
CID 66375827
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198
(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone
CID 66375654
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77135692
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 66378127
(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
CID 66376989
4-(3-ethylsulfonylthiomorpholin-4-yl)-4-oxobut-2-enoic acid
CID 77135722

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone (CID 66378129) is 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone is CCS(=O)(=O)C1CSCCN1C(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
The InChIKey is BXJYWAFBGWVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-2-21(18,19)14-11-20-9-8-16(14)13(17)10-15-12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3.
What are the key properties of 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone?
2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone has a molecular weight of 328.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 66378129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).