2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol

C11H21NO3S — CID 60885475

IUPAC2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C11H21NO3S/c13-11-4-2-1-3-10(11)12-9-5-7-16(14,15)8-6-9/h9-13H,1-8H2
InChIKeyJILWUEUQFAVHEX-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.46
Rot. Bonds2

About 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol

2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol (PubChem CID 60885475) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
PubChem CID60885475
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C11H21NO3S/c13-11-4-2-1-3-10(11)12-9-5-7-16(14,15)8-6-9/h9-13H,1-8H2
InChIKeyJILWUEUQFAVHEX-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-{[(1R,2R)-2-fluorocyclohexyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021344
4-(Cyclohexylamino)tetrahydrothiophene-3-ol 1,1-dioxide
CID 307375
4-[(1,1-Dioxothiolan-3-yl)amino]cyclohexan-1-ol
CID 16785097
4-(2-Propan-2-ylsulfonylethylamino)cyclohexan-1-ol
CID 57992763
4-(2-Methylsulfonylethylamino)cyclohexan-1-ol
CID 70946592
(3R,4R)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
CID 1413771
(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
CID 1413772
Cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium
CID 5152228
(3S,4S)-3-(cyclohexylamino)-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 6556762
4-(Cyclohexylamino)-1,1-dioxothiolan-3-ol;hydrochloride
CID 18590534
4-(Cyclohexylamino)-1,1-dioxothiolan-3-ol chloride
CID 21179770
(3S,4R)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
CID 40470402

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol (CID 60885475) is 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol is O=S1(=O)CCC(NC2CCCCC2O)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The InChIKey is JILWUEUQFAVHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11-4-2-1-3-10(11)12-9-5-7-16(14,15)8-6-9/h9-13H,1-8H2.
What are the key properties of 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 60885475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).