4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol

C11H21NO3S — CID 60665929

IUPAC4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCC2CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c13-11-8-16(14,15)7-10(11)12-6-9-4-2-1-3-5-9/h9-13H,1-8H2
InChIKeyZVKGJVVLACBSGY-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.31
Rot. Bonds3

About 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol

4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol (PubChem CID 60665929) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol
PubChem CID60665929
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCC2CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c13-11-8-16(14,15)7-10(11)12-6-9-4-2-1-3-5-9/h9-13H,1-8H2
InChIKeyZVKGJVVLACBSGY-UHFFFAOYSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol
CID 60885296
1,1-dioxo-4-(thian-2-ylmethylamino)thiolan-3-ol
CID 80599907
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
(3S,4R)-4-(cycloheptylamino)-1,1-dioxothiolan-3-ol
CID 51889318
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol
CID 115638949
trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 6354533

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol (CID 60665929) is 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCC2CCCCC2)C1.
What is the InChIKey of 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is ZVKGJVVLACBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11-8-16(14,15)7-10(11)12-6-9-4-2-1-3-5-9/h9-13H,1-8H2.
What are the key properties of 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol?
4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60665929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).