(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C10H18N2O3S — CID 66264309

IUPAC(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C(=O)N2CCS(=O)CC2)COCC1N
InChIInChI=1S/C10H18N2O3S/c1-10(7-15-6-8(10)11)9(13)12-2-4-16(14)5-3-12/h8H,2-7,11H2,1H3
InChIKeyOJPSHDTXKOFRIH-UHFFFAOYSA-N
MW246.33 g/mol
LogP-1.06
Rot. Bonds1

About (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 66264309) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID66264309
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C(=O)N2CCS(=O)CC2)COCC1N
InChIInChI=1S/C10H18N2O3S/c1-10(7-15-6-8(10)11)9(13)12-2-4-16(14)5-3-12/h8H,2-7,11H2,1H3
InChIKeyOJPSHDTXKOFRIH-UHFFFAOYSA-N
XLogP-1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 66264309) is (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is CC1(C(=O)N2CCS(=O)CC2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is OJPSHDTXKOFRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(7-15-6-8(10)11)9(13)12-2-4-16(14)5-3-12/h8H,2-7,11H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 246.33 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 66264309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).