4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide

C10H18N2O4S2 — CID 79674681

IUPAC4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)CC2CCCO2)CCO1
InChIInChI=1S/C10H18N2O4S2/c11-10(17)9-6-12(3-5-16-9)18(13,14)7-8-2-1-4-15-8/h8-9H,1-7H2,(H2,11,17)
InChIKeySXCHDSLLRIHSND-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.52
Rot. Bonds4

About 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide

4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide (PubChem CID 79674681) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
PubChem CID79674681
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC Name4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)CC2CCCO2)CCO1
InChIInChI=1S/C10H18N2O4S2/c11-10(17)9-6-12(3-5-16-9)18(13,14)7-8-2-1-4-15-8/h8-9H,1-7H2,(H2,11,17)
InChIKeySXCHDSLLRIHSND-UHFFFAOYSA-N
XLogP-0.52
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
2-[4-(oxolan-2-ylmethylsulfonyl)piperazin-1-yl]butanethioamide
CID 63341644
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
CID 79675027
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894
methyl 3-(2-carbamothioylmorpholin-4-yl)sulfonylpropanoate
CID 79680830
4-(dimethylsulfamoyl)morpholine-2-carbothioamide
CID 79674162

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide (CID 79674681) is 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide is NC(=S)C1CN(S(=O)(=O)CC2CCCO2)CCO1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide?
The InChIKey is SXCHDSLLRIHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c11-10(17)9-6-12(3-5-16-9)18(13,14)7-8-2-1-4-15-8/h8-9H,1-7H2,(H2,11,17).
What are the key properties of 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide?
4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide has a molecular weight of 294.40 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79674681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).