1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one

C12H24N2O3S2 — CID 66378127

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCCS(=O)(=O)C1CSCCN1C(=O)CCNC(C)C
InChIInChI=1S/C12H24N2O3S2/c1-4-19(16,17)12-9-18-8-7-14(12)11(15)5-6-13-10(2)3/h10,12-13H,4-9H2,1-3H3
InChIKeySULKMIWELFVTQP-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.71
Rot. Bonds6

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one

1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one (PubChem CID 66378127) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
PubChem CID66378127
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCCS(=O)(=O)C1CSCCN1C(=O)CCNC(C)C
InChIInChI=1S/C12H24N2O3S2/c1-4-19(16,17)12-9-18-8-7-14(12)11(15)5-6-13-10(2)3/h10,12-13H,4-9H2,1-3H3
InChIKeySULKMIWELFVTQP-UHFFFAOYSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
3-ethylsulfonyl-N-propan-2-ylthiomorpholine-4-carbothioamide
CID 116509287
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 79256888
1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66383135
(2S)-2-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylpentan-1-one
CID 66377946
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
(2S)-2-[(3-ethylsulfonylthiomorpholine-4-carbonyl)amino]-3-methylbutanoic acid
CID 66376225
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
CID 79348567
(2R)-1-(3-ethylsulfonylthiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 66377773
3-ethylsulfonyl-N-(1-methoxypropan-2-yl)thiomorpholine-4-carbothioamide
CID 116509285

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one (CID 66378127) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one is CCS(=O)(=O)C1CSCCN1C(=O)CCNC(C)C.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one?
The InChIKey is SULKMIWELFVTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-4-19(16,17)12-9-18-8-7-14(12)11(15)5-6-13-10(2)3/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one?
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one has a molecular weight of 308.47 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 66378127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).