[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

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Related Compounds

[2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571164
[2-[2-(4,4-diethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79573438
[2-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79572951
[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571423
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571011
[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 103540797
[2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571987
[1-(methylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571001
[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
CID 102887341
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571574
[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571310
1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577625

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).