(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

C10H18N2O4S2 — CID 66384018

IUPAC(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4S2/c1-18(14,15)9-6-17-3-2-12(9)10(13)7-4-16-5-8(7)11/h7-9H,2-6,11H2,1H3
InChIKeyGFABGMTVQDJSTR-UHFFFAOYSA-N
MW294.40 g/mol
LogP-1.09
Rot. Bonds2

About (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66384018) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66384018
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC Name(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4S2/c1-18(14,15)9-6-17-3-2-12(9)10(13)7-4-16-5-8(7)11/h7-9H,2-6,11H2,1H3
InChIKeyGFABGMTVQDJSTR-UHFFFAOYSA-N
XLogP-1.09
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376972
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 79478289
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
CID 116656564
2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
CID 66384334
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107031839
(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
4-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66383779
5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
CID 82688884

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (CID 66384018) is (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is CS(=O)(=O)C1CSCCN1C(=O)C1COCC1N.
What is the InChIKey of (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is GFABGMTVQDJSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c1-18(14,15)9-6-17-3-2-12(9)10(13)7-4-16-5-8(7)11/h7-9H,2-6,11H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66384018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).