3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide

C12H20N2O4S — CID 167756740

IUPAC3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide
SMILESO=C(CCC1CCCC1)NC1CCS(=O)(=O)NC1=O
InChIInChI=1S/C12H20N2O4S/c15-11(6-5-9-3-1-2-4-9)13-10-7-8-19(17,18)14-12(10)16/h9-10H,1-8H2,(H,13,15)(H,14,16)
InChIKeyRBZUGNWYRPBJKM-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.29
Rot. Bonds4

About 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide

3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide (PubChem CID 167756740) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide
PubChem CID167756740
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide
SMILESO=C(CCC1CCCC1)NC1CCS(=O)(=O)NC1=O
InChIInChI=1S/C12H20N2O4S/c15-11(6-5-9-3-1-2-4-9)13-10-7-8-19(17,18)14-12(10)16/h9-10H,1-8H2,(H,13,15)(H,14,16)
InChIKeyRBZUGNWYRPBJKM-UHFFFAOYSA-N
XLogP0.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47478331
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6-cyclohexyl-N-(2-oxoazetidin-3-yl)hexanamide
CID 90426150
6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide
CID 86273996
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-cyclohexylpropanamide
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3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide
CID 71994756
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
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CID 6930772

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide (CID 167756740) is 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide is O=C(CCC1CCCC1)NC1CCS(=O)(=O)NC1=O.
What is the InChIKey of 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide?
The InChIKey is RBZUGNWYRPBJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c15-11(6-5-9-3-1-2-4-9)13-10-7-8-19(17,18)14-12(10)16/h9-10H,1-8H2,(H,13,15)(H,14,16).
What are the key properties of 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide?
3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide has a molecular weight of 288.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(1,1,3-trioxothiazinan-4-yl)propanamide is sourced from PubChem (CID 167756740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).