N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide

C18H34N2O2S2 — CID 11961373

IUPACN-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide
SMILESCC(=O)N(CC1CSC(CN(C(C)=O)C(C)(C)C)CS1)C(C)(C)C
InChIInChI=1S/C18H34N2O2S2/c1-13(21)19(17(3,4)5)9-15-11-24-16(12-23-15)10-20(14(2)22)18(6,7)8/h15-16H,9-12H2,1-8H3
InChIKeySCNHJJRAKVQAJW-UHFFFAOYSA-N
MW374.62 g/mol
LogP3.50
Rot. Bonds4

About N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide

N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide (PubChem CID 11961373) has the molecular formula C18H34N2O2S2 and a molecular weight of 374.62 g/mol. Its IUPAC name is N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide.

Molecular Properties

Compound NameN-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide
PubChem CID11961373
Molecular FormulaC18H34N2O2S2
Molecular Weight374.62 g/mol
Exact Mass374.21
IUPAC NameN-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide
SMILESCC(=O)N(CC1CSC(CN(C(C)=O)C(C)(C)C)CS1)C(C)(C)C
InChIInChI=1S/C18H34N2O2S2/c1-13(21)19(17(3,4)5)9-15-11-24-16(12-23-15)10-20(14(2)22)18(6,7)8/h15-16H,9-12H2,1-8H3
InChIKeySCNHJJRAKVQAJW-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide 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-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide?
The IUPAC name of N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide (CID 11961373) is N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide.
What is the SMILES notation for N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide?
The canonical SMILES for N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide is CC(=O)N(CC1CSC(CN(C(C)=O)C(C)(C)C)CS1)C(C)(C)C.
What is the InChIKey of N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide?
The InChIKey is SCNHJJRAKVQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2S2/c1-13(21)19(17(3,4)5)9-15-11-24-16(12-23-15)10-20(14(2)22)18(6,7)8/h15-16H,9-12H2,1-8H3.
What are the key properties of N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide?
N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide has a molecular weight of 374.62 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide is sourced from PubChem (CID 11961373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).