2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

C12H22N2O4S — CID 107221956

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O4S/c15-11-4-2-1-3-10(11)14-12(16)7-9-8-19(17,18)6-5-13-9/h9-11,13,15H,1-8H2,(H,14,16)/t9?,10-,11-/m1/s1
InChIKeyABDWHTWVTLMPQP-FHZGLPGMSA-N
MW290.39 g/mol
LogP-0.82
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (PubChem CID 107221956) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
PubChem CID107221956
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O4S/c15-11-4-2-1-3-10(11)14-12(16)7-9-8-19(17,18)6-5-13-9/h9-11,13,15H,1-8H2,(H,14,16)/t9?,10-,11-/m1/s1
InChIKeyABDWHTWVTLMPQP-FHZGLPGMSA-N
XLogP-0.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide with MolForge

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 80519686
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518479
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide
CID 80520811
N-(2-hydroxycycloheptyl)-2-piperidin-4-ylacetamide
CID 113394752
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
CID 107222088
N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520771
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 80520122
N-(1-cyclopropylpyrrolidin-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520231
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520467

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (CID 107221956) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is O=C(CC1CS(=O)(=O)CCN1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The InChIKey is ABDWHTWVTLMPQP-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-11-4-2-1-3-10(11)14-12(16)7-9-8-19(17,18)6-5-13-9/h9-11,13,15H,1-8H2,(H,14,16)/t9?,10-,11-/m1/s1.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 107221956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).