2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide

C16H29N3O3S — CID 124864665

IUPAC2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[S@](=O)CC1(C)C
InChIInChI=1S/C16H29N3O3S/c1-12-6-4-5-7-13(12)17-15(21)18-14(20)10-19-8-9-23(22)11-16(19,2)3/h12-13H,4-11H2,1-3H3,(H2,17,18,20,21)/t12-,13-,23+/m1/s1
InChIKeyZLZFYWFQSVHUNG-RFIQDPTOSA-N
MW343.49 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide

2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 124864665) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID124864665
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[S@](=O)CC1(C)C
InChIInChI=1S/C16H29N3O3S/c1-12-6-4-5-7-13(12)17-15(21)18-14(20)10-19-8-9-23(22)11-16(19,2)3/h12-13H,4-11H2,1-3H3,(H2,17,18,20,21)/t12-,13-,23+/m1/s1
InChIKeyZLZFYWFQSVHUNG-RFIQDPTOSA-N
XLogP1.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 96538170
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 100907056
N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 124777937
2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97099778
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97221018
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9110458
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 42900503

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide (CID 124864665) is 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[S@](=O)CC1(C)C.
What is the InChIKey of 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is ZLZFYWFQSVHUNG-RFIQDPTOSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-12-6-4-5-7-13(12)17-15(21)18-14(20)10-19-8-9-23(22)11-16(19,2)3/h12-13H,4-11H2,1-3H3,(H2,17,18,20,21)/t12-,13-,23+/m1/s1.
What are the key properties of 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 343.49 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 124864665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).