N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C13H26N2O2S — CID 62259738

IUPACN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C13H26N2O2S/c1-12(2)14-9-13(3-6-17-11-13)10-15-4-7-18(16)8-5-15/h12,14H,3-11H2,1-2H3
InChIKeyKCGZFACQMMGZHU-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.46
Rot. Bonds5

About N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62259738) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62259738
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C13H26N2O2S/c1-12(2)14-9-13(3-6-17-11-13)10-15-4-7-18(16)8-5-15/h12,14H,3-11H2,1-2H3
InChIKeyKCGZFACQMMGZHU-UHFFFAOYSA-N
XLogP0.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.46
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]propan-2-amine?
The IUPAC name of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62259738) is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CCS(=O)CC2)CCOC1.
What is the InChIKey of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is KCGZFACQMMGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(2)14-9-13(3-6-17-11-13)10-15-4-7-18(16)8-5-15/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 0.46, 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]propan-2-amine is sourced from PubChem (CID 62259738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).