N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

C15H30N2O3S — CID 62256159

IUPACN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1(CNC(C)(C)C)CCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O3S/c1-14(2,3)16-10-15(6-7-20-12-15)11-17(4)13-5-8-21(18,19)9-13/h13,16H,5-12H2,1-4H3
InChIKeyBNEPQVQSWHPICV-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.90
Rot. Bonds5

About N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 62256159) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID62256159
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1(CNC(C)(C)C)CCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O3S/c1-14(2,3)16-10-15(6-7-20-12-15)11-17(4)13-5-8-21(18,19)9-13/h13,16H,5-12H2,1-4H3
InChIKeyBNEPQVQSWHPICV-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 62256159) is N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1(CNC(C)(C)C)CCOC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is BNEPQVQSWHPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-14(2,3)16-10-15(6-7-20-12-15)11-17(4)13-5-8-21(18,19)9-13/h13,16H,5-12H2,1-4H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 318.48 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62256159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).