(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol

C10H19NO3S — CID 1413772

IUPAC(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@H](O)[C@H](NC2CCCCC2)C1
InChIInChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h8-12H,1-7H2/t9-,10+/m1/s1
InChIKeyQJXHLODFVYVUCV-ZJUUUORDSA-N
MW233.33 g/mol
LogP0.07
Rot. Bonds2

About (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol

(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol (PubChem CID 1413772) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
PubChem CID1413772
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@H](O)[C@H](NC2CCCCC2)C1
InChIInChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h8-12H,1-7H2/t9-,10+/m1/s1
InChIKeyQJXHLODFVYVUCV-ZJUUUORDSA-N
XLogP0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Capso
CID 2733480
4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 3093516
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate
CID 25000353
(2S)-3-(cyclohexylazaniumyl)-2-hydroxypropane-1-sulfonate
CID 7004981
(2R)-3-(cyclohexylazaniumyl)-2-hydroxypropane-1-sulfonate
CID 7004983
(2s)-3-(Cyclohexylamino)-2-Hydroxypropane-1-Sulfonic Acid
CID 7004982
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600
4-((2-Hydroxypropyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 43511752
3-(Cyclohexylamino)-2-hydroxypropane-1-sulfonate
CID 18786723
(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
CID 7004984

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol (CID 1413772) is (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@H](O)[C@H](NC2CCCCC2)C1.
What is the InChIKey of (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is QJXHLODFVYVUCV-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h8-12H,1-7H2/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol?
(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 233.33 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 1413772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).