4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride

C10H19ClNO3S- — CID 21179770

IUPAC4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride
SMILESO=S1(=O)CC(O)C(NC2CCCCC2)C1.[Cl-]
InChIInChI=1S/C10H19NO3S.ClH/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8;/h8-12H,1-7H2;1H/p-1
InChIKeyJWXUZERUZVIWEO-UHFFFAOYSA-M
MW268.79 g/mol
LogP-2.93
Rot. Bonds2

About 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride

4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride (PubChem CID 21179770) has the molecular formula C10H19ClNO3S- and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride.

Molecular Properties

Compound Name4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride
PubChem CID21179770
Molecular FormulaC10H19ClNO3S-
Molecular Weight268.79 g/mol
Exact Mass268.08
IUPAC Name4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride
SMILESO=S1(=O)CC(O)C(NC2CCCCC2)C1.[Cl-]
InChIInChI=1S/C10H19NO3S.ClH/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8;/h8-12H,1-7H2;1H/p-1
InChIKeyJWXUZERUZVIWEO-UHFFFAOYSA-M
XLogP-2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 5-2.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Dimethylamino-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 9549543
4-Isobutylamino-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 16187036
4-(3-Methoxy-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 16187055
4-((2-Hydroxypropyl)amino)-1lambda6-thiane-1,1-dione hydrochloride
CID 75511749
(2S)-3-(cyclohexylazaniumyl)-2-hydroxypropane-1-sulfonate
CID 7004981
(2R)-3-(cyclohexylazaniumyl)-2-hydroxypropane-1-sulfonate
CID 7004983
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
3-(Cyclohexylamino)-2-hydroxypropane-1-sulfonate
CID 18786723
1,1-Dioxo-4-(5,5,5-trifluoropentylamino)thiolan-3-ol
CID 113323221
(4S)-3-{[(1R,2R)-2-fluorocyclopentyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021279
(4S)-3-{[(1R,2R)-2-fluorocyclohexyl](methyl)amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021319
(4S)-3-{[(1R,2R)-2-fluorocyclohexyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021344

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride?
The IUPAC name of 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride (CID 21179770) is 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride.
What is the SMILES notation for 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride?
The canonical SMILES for 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride is O=S1(=O)CC(O)C(NC2CCCCC2)C1.[Cl-].
What is the InChIKey of 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride?
The InChIKey is JWXUZERUZVIWEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO3S.ClH/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8;/h8-12H,1-7H2;1H/p-1.
What are the key properties of 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride?
4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride has a molecular weight of 268.79 g/mol, XLogP of -2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-1,1-dioxothiolan-3-ol chloride is sourced from PubChem (CID 21179770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).