1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol

C11H21NO3S — CID 103827241

IUPAC1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
SMILESO=S1(=O)CCCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C11H21NO3S/c13-11(4-1-2-5-11)10-12-6-3-8-16(14,15)9-7-12/h13H,1-10H2
InChIKeyAMLVQNGFQXGDJA-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds2

About 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol

1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol (PubChem CID 103827241) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
PubChem CID103827241
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
SMILESO=S1(=O)CCCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C11H21NO3S/c13-11(4-1-2-5-11)10-12-6-3-8-16(14,15)9-7-12/h13H,1-10H2
InChIKeyAMLVQNGFQXGDJA-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,1-Dioxo-1,4-thiazepan-4-yl)methyl]cyclobutan-1-ol
CID 127456788
3-(3-Ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
4-(2-Methylsulfonylethyl)-1-propylazepan-4-ol
CID 65153668
4-(3-Ethylsulfonylpropyl)-1-propylazepan-4-ol
CID 65153670
1-Ethyl-4-(2-methylsulfonylethyl)azepan-4-ol
CID 65153719
1-Ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
CID 65153721
1-Methyl-4-(2-methylsulfonylethyl)azepan-4-ol
CID 65153769
4-(3-Ethylsulfonylpropyl)-1-methylazepan-4-ol
CID 65153771
1-(1,4-Thiazepan-4-ylmethyl)cyclopentan-1-ol
CID 65212728
4-((1-Hydroxycyclopentyl)methyl)thiomorpholine 1,1-dioxide
CID 65213047
1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
CID 65213159
1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
CID 65213210

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol (CID 103827241) is 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol is O=S1(=O)CCCN(CC2(O)CCCC2)CC1.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is AMLVQNGFQXGDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11(4-1-2-5-11)10-12-6-3-8-16(14,15)9-7-12/h13H,1-10H2.
What are the key properties of 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103827241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).