4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide

C11H13ClN2O3S2 — CID 79675206

IUPAC4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C11H13ClN2O3S2/c12-8-2-1-3-9(6-8)19(15,16)14-4-5-17-10(7-14)11(13)18/h1-3,6,10H,4-5,7H2,(H2,13,18)
InChIKeyGTISOYRDFYQCCO-UHFFFAOYSA-N
MW320.82 g/mol
LogP1.02
Rot. Bonds3

About 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide

4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide (PubChem CID 79675206) has the molecular formula C11H13ClN2O3S2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
PubChem CID79675206
Molecular FormulaC11H13ClN2O3S2
Molecular Weight320.82 g/mol
Exact Mass320.01
IUPAC Name4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)c2cccc(Cl)c2)CCO1
InChIInChI=1S/C11H13ClN2O3S2/c12-8-2-1-3-9(6-8)19(15,16)14-4-5-17-10(7-14)11(13)18/h1-3,6,10H,4-5,7H2,(H2,13,18)
InChIKeyGTISOYRDFYQCCO-UHFFFAOYSA-N
XLogP1.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonyl)morpholine-2-carbothioamide
CID 79674762
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79674677
3-(2-ethylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43562909
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide?
The IUPAC name of 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide (CID 79675206) is 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide?
The canonical SMILES for 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide is NC(=S)C1CN(S(=O)(=O)c2cccc(Cl)c2)CCO1.
What is the InChIKey of 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide?
The InChIKey is GTISOYRDFYQCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S2/c12-8-2-1-3-9(6-8)19(15,16)14-4-5-17-10(7-14)11(13)18/h1-3,6,10H,4-5,7H2,(H2,13,18).
What are the key properties of 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide?
4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide has a molecular weight of 320.82 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide is sourced from PubChem (CID 79675206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).