[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol

C13H26N2O3S — CID 79570958

IUPAC[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-14-13(11-16)5-2-3-12(13)4-6-15-7-9-19(17,18)10-8-15/h12,14,16H,2-11H2,1H3
InChIKeyFHHHTMUGVUPJES-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.14
Rot. Bonds5

About [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79570958) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79570958
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-14-13(11-16)5-2-3-12(13)4-6-15-7-9-19(17,18)10-8-15/h12,14,16H,2-11H2,1H3
InChIKeyFHHHTMUGVUPJES-UHFFFAOYSA-N
XLogP-0.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol (CID 79570958) is [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1.
What is the InChIKey of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is FHHHTMUGVUPJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-14-13(11-16)5-2-3-12(13)4-6-15-7-9-19(17,18)10-8-15/h12,14,16H,2-11H2,1H3.
What are the key properties of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 290.43 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79570958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).