S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate

C11H18ClNO2S2 — CID 88809068

IUPACS-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate
SMILESO=C(SSC1CCCCC1Cl)N1CCOCC1
InChIInChI=1S/C11H18ClNO2S2/c12-9-3-1-2-4-10(9)16-17-11(14)13-5-7-15-8-6-13/h9-10H,1-8H2
InChIKeySCADAPNOCMDJKN-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.37
Rot. Bonds2

About S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate

S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate (PubChem CID 88809068) has the molecular formula C11H18ClNO2S2 and a molecular weight of 295.86 g/mol. Its IUPAC name is S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate.

Molecular Properties

Compound NameS-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate
PubChem CID88809068
Molecular FormulaC11H18ClNO2S2
Molecular Weight295.86 g/mol
Exact Mass295.05
IUPAC NameS-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate
SMILESO=C(SSC1CCCCC1Cl)N1CCOCC1
InChIInChI=1S/C11H18ClNO2S2/c12-9-3-1-2-4-10(9)16-17-11(14)13-5-7-15-8-6-13/h9-10H,1-8H2
InChIKeySCADAPNOCMDJKN-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
2-(disulfanyl)-1-morpholin-4-ylethanone
CID 144729362
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
morpholin-4-yl-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474305
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
CID 136747595
CID 136747595

Frequently Asked Questions

What is the IUPAC name of S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate?
The IUPAC name of S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate (CID 88809068) is S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate.
What is the SMILES notation for S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate?
The canonical SMILES for S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate is O=C(SSC1CCCCC1Cl)N1CCOCC1.
What is the InChIKey of S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate?
The InChIKey is SCADAPNOCMDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S2/c12-9-3-1-2-4-10(9)16-17-11(14)13-5-7-15-8-6-13/h9-10H,1-8H2.
What are the key properties of S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate?
S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate has a molecular weight of 295.86 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-chlorocyclohexyl)sulfanyl morpholine-4-carbothioate is sourced from PubChem (CID 88809068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).