(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone

C11H20N2O3S — CID 67953800

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-2-10-4-3-5-13(10)11(14)12-6-8-17(15,16)9-7-12/h10H,2-9H2,1H3
InChIKeyNBGZAFSTOXPNAH-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.71
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 67953800) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID67953800
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-2-10-4-3-5-13(10)11(14)12-6-8-17(15,16)9-7-12/h10H,2-9H2,1H3
InChIKeyNBGZAFSTOXPNAH-UHFFFAOYSA-N
XLogP0.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199688
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azepane-2-carboxylic acid
CID 64561943
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone (CID 67953800) is (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is NBGZAFSTOXPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-10-4-3-5-13(10)11(14)12-6-8-17(15,16)9-7-12/h10H,2-9H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 67953800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).