N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C13H24N2O2S — CID 55056143

IUPACN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESO=S1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C13H24N2O2S/c16-18-7-4-15(5-8-18)10-13(3-6-17-11-13)9-14-12-1-2-12/h12,14H,1-11H2
InChIKeyDUZRZSYCMANSNX-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.21
Rot. Bonds5

About N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55056143) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55056143
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESO=S1CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C13H24N2O2S/c16-18-7-4-15(5-8-18)10-13(3-6-17-11-13)9-14-12-1-2-12/h12,14H,1-11H2
InChIKeyDUZRZSYCMANSNX-UHFFFAOYSA-N
XLogP0.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55056143) is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is O=S1CCN(CC2(CNC3CC3)CCOC2)CC1.
What is the InChIKey of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is DUZRZSYCMANSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-18-7-4-15(5-8-18)10-13(3-6-17-11-13)9-14-12-1-2-12/h12,14H,1-11H2.
What are the key properties of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 272.41 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55056143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).