[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol

C15H30N2O3S — CID 102887341

IUPAC[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H30N2O3S/c1-3-16-15(12-18)7-4-5-14(15)6-8-17-9-10-21(19,20)11-13(17)2/h13-14,16,18H,3-12H2,1-2H3
InChIKeyCCINRLXLGPOOST-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.64
Rot. Bonds6

About [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol

[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol (PubChem CID 102887341) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
PubChem CID102887341
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H30N2O3S/c1-3-16-15(12-18)7-4-5-14(15)6-8-17-9-10-21(19,20)11-13(17)2/h13-14,16,18H,3-12H2,1-2H3
InChIKeyCCINRLXLGPOOST-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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 [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol (CID 102887341) is [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol is CCNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1C.
What is the InChIKey of [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The InChIKey is CCINRLXLGPOOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-16-15(12-18)7-4-5-14(15)6-8-17-9-10-21(19,20)11-13(17)2/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol has a molecular weight of 318.48 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 102887341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).