N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C13H23N3O4S — CID 80518479

IUPACN-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C13H23N3O4S/c1-10(17)16-5-2-11(3-6-16)15-13(18)8-12-9-21(19,20)7-4-14-12/h11-12,14H,2-9H2,1H3,(H,15,18)
InChIKeyBPVIAHWPQWSCRA-UHFFFAOYSA-N
MW317.41 g/mol
LogP-1.11
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80518479) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80518479
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C13H23N3O4S/c1-10(17)16-5-2-11(3-6-16)15-13(18)8-12-9-21(19,20)7-4-14-12/h11-12,14H,2-9H2,1H3,(H,15,18)
InChIKeyBPVIAHWPQWSCRA-UHFFFAOYSA-N
XLogP-1.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 80520208
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide
CID 80520811
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-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
2-(4-methylpiperazin-2-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 115178258
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 80519686
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
CID 80519969

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80518479) is N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is CC(=O)N1CCC(NC(=O)CC2CS(=O)(=O)CCN2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is BPVIAHWPQWSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-10(17)16-5-2-11(3-6-16)15-13(18)8-12-9-21(19,20)7-4-14-12/h11-12,14H,2-9H2,1H3,(H,15,18).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80518479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).