1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H24N2O2S — CID 2998646

IUPAC1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN1CCCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C14H24N2O2S/c1-15-5-3-6-16(8-7-15)10-13(17)11-18-12-14-4-2-9-19-14/h2,4,9,13,17H,3,5-8,10-12H2,1H3
InChIKeyIKHZLHKOPZJERA-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.26
Rot. Bonds6

About 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 2998646) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID2998646
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN1CCCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C14H24N2O2S/c1-15-5-3-6-16(8-7-15)10-13(17)11-18-12-14-4-2-9-19-14/h2,4,9,13,17H,3,5-8,10-12H2,1H3
InChIKeyIKHZLHKOPZJERA-UHFFFAOYSA-N
XLogP1.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol 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 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 2998646) is 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is CN1CCCN(CC(O)COCc2cccs2)CC1.
What is the InChIKey of 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is IKHZLHKOPZJERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-15-5-3-6-16(8-7-15)10-13(17)11-18-12-14-4-2-9-19-14/h2,4,9,13,17H,3,5-8,10-12H2,1H3.
What are the key properties of 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 284.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2998646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).