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

C12H24N2O3S — CID 79571027

IUPAC[1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c13-12(10-15)4-1-2-11(12)3-5-14-6-8-18(16,17)9-7-14/h11,15H,1-10,13H2
InChIKeyKRLCMXVMRFXTAK-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.40
Rot. Bonds4

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

[1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol (PubChem CID 79571027) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
PubChem CID79571027
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c13-12(10-15)4-1-2-11(12)3-5-14-6-8-18(16,17)9-7-14/h11,15H,1-10,13H2
InChIKeyKRLCMXVMRFXTAK-UHFFFAOYSA-N
XLogP-0.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol (CID 79571027) is [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol is NC1(CO)CCCC1CCN1CCS(=O)(=O)CC1.
What is the InChIKey of [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The InChIKey is KRLCMXVMRFXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c13-12(10-15)4-1-2-11(12)3-5-14-6-8-18(16,17)9-7-14/h11,15H,1-10,13H2.
What are the key properties of [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol has a molecular weight of 276.40 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).