[1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol

C11H21NO3S — CID 62522052

IUPAC[1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
SMILESO=S1(=O)CCC(NC2(CO)CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c13-9-11(5-2-1-3-6-11)12-10-4-7-16(14,15)8-10/h10,12-13H,1-9H2
InChIKeyKFTSVYAZQSCGKX-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.46
Rot. Bonds3

About [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol

[1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol (PubChem CID 62522052) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
PubChem CID62522052
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
SMILESO=S1(=O)CCC(NC2(CO)CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c13-9-11(5-2-1-3-6-11)12-10-4-7-16(14,15)8-10/h10,12-13H,1-9H2
InChIKeyKFTSVYAZQSCGKX-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol (CID 62522052) is [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol is O=S1(=O)CCC(NC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol?
The InChIKey is KFTSVYAZQSCGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-9-11(5-2-1-3-6-11)12-10-4-7-16(14,15)8-10/h10,12-13H,1-9H2.
What are the key properties of [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol?
[1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62522052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).