N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine

C15H30N2O3S — CID 102886586

IUPACN,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
SMILESCNC1C(CN2CCS(=O)(=O)CC2C)C(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2O3S/c1-11-10-21(18,19)8-7-17(11)9-12-13(16-6)15(4,5)20-14(12,2)3/h11-13,16H,7-10H2,1-6H3
InChIKeyNJYZLZHRMLGCFF-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.90
Rot. Bonds3

About N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine

N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine (PubChem CID 102886586) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
PubChem CID102886586
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
SMILESCNC1C(CN2CCS(=O)(=O)CC2C)C(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2O3S/c1-11-10-21(18,19)8-7-17(11)9-12-13(16-6)15(4,5)20-14(12,2)3/h11-13,16H,7-10H2,1-6H3
InChIKeyNJYZLZHRMLGCFF-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
The IUPAC name of N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine (CID 102886586) is N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine is CNC1C(CN2CCS(=O)(=O)CC2C)C(C)(C)OC1(C)C.
What is the InChIKey of N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
The InChIKey is NJYZLZHRMLGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-11-10-21(18,19)8-7-17(11)9-12-13(16-6)15(4,5)20-14(12,2)3/h11-13,16H,7-10H2,1-6H3.
What are the key properties of N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine has a molecular weight of 318.48 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 102886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).