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

C15H30N2O3S — CID 79567901

IUPAC[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H30N2O3S/c1-2-7-16-15(13-18)6-3-4-14(15)5-8-17-9-11-21(19,20)12-10-17/h14,16,18H,2-13H2,1H3
InChIKeyRGWILCDKPQFWFU-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.64
Rot. Bonds7

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

[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79567901) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID79567901
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H30N2O3S/c1-2-7-16-15(13-18)6-3-4-14(15)5-8-17-9-11-21(19,20)12-10-17/h14,16,18H,2-13H2,1H3
InChIKeyRGWILCDKPQFWFU-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol (CID 79567901) is [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1.
What is the InChIKey of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is RGWILCDKPQFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-2-7-16-15(13-18)6-3-4-14(15)5-8-17-9-11-21(19,20)12-10-17/h14,16,18H,2-13H2,1H3.
What are the key properties of [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol?
[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 318.48 g/mol, XLogP of 0.64, 7 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-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79567901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).