cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid

C11H17NO5S — CID 114091788

IUPACcis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17NO5S/c13-10(8-2-1-3-9(8)11(14)15)12-4-6-18(16,17)7-5-12/h8-9H,1-7H2,(H,14,15)/t8-,9+/m1/s1
InChIKeyYVOKEPSPYXEIIZ-BDAKNGLRSA-N
MW275.33 g/mol
LogP-0.26
Rot. Bonds2

About cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114091788) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114091788
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Namecis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17NO5S/c13-10(8-2-1-3-9(8)11(14)15)12-4-6-18(16,17)7-5-12/h8-9H,1-7H2,(H,14,15)/t8-,9+/m1/s1
InChIKeyYVOKEPSPYXEIIZ-BDAKNGLRSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810965
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 103979074
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
cis-(1S,2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 94243487
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092330
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid (CID 114091788) is cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is YVOKEPSPYXEIIZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17NO5S/c13-10(8-2-1-3-9(8)11(14)15)12-4-6-18(16,17)7-5-12/h8-9H,1-7H2,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).