1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol

C11H21NO3S — CID 60897813

IUPAC1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NCC2(O)CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c13-11(5-2-1-3-6-11)9-12-10-4-7-16(14,15)8-10/h10,12-13H,1-9H2
InChIKeyBBVHWFQCSDVIJT-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.46
Rot. Bonds3

About 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol

1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 60897813) 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]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID60897813
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NCC2(O)CCCCC2)C1
InChIInChI=1S/C11H21NO3S/c13-11(5-2-1-3-6-11)9-12-10-4-7-16(14,15)8-10/h10,12-13H,1-9H2
InChIKeyBBVHWFQCSDVIJT-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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Related Compounds

CID 64138148
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CID 126578110
CID 126578110
CID 4406036
CID 4406036
CID 11889631
CID 11889631
CID 11889632
CID 11889632
CID 11889633
CID 11889633
CID 11889634
CID 11889634
CID 11889635
CID 11889635
CID 11889636
CID 11889636
CID 11889637
CID 11889637
CID 11889638
CID 11889638
CID 54914548
CID 54914548

Frequently Asked Questions

What is the IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 60897813) is 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol is O=S1(=O)CCC(NCC2(O)CCCCC2)C1.
What is the InChIKey of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is BBVHWFQCSDVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11(5-2-1-3-6-11)9-12-10-4-7-16(14,15)8-10/h10,12-13H,1-9H2.
What are the key properties of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 60897813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).