[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

C13H26N2O3S — CID 79656613

IUPAC[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O3S/c1-11(2)14-13(10-16)4-3-12(9-13)15-5-7-19(17,18)8-6-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyDDMHLLZMOACJRS-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.00
Rot. Bonds4

About [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79656613) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79656613
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O3S/c1-11(2)14-13(10-16)4-3-12(9-13)15-5-7-19(17,18)8-6-15/h11-12,14,16H,3-10H2,1-2H3
InChIKeyDDMHLLZMOACJRS-UHFFFAOYSA-N
XLogP-0.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640301
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79647012
[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656555
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625049
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525
[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634359
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040
[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645743
[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79656613) is [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)NC1(CO)CCC(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is DDMHLLZMOACJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11(2)14-13(10-16)4-3-12(9-13)15-5-7-19(17,18)8-6-15/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 290.43 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).