2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide

C15H25N3OS — CID 80527451

IUPAC2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCCNCC1)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-15(2,13-5-3-10-20-13)12-17-14(19)11-18-8-4-6-16-7-9-18/h3,5,10,16H,4,6-9,11-12H2,1-2H3,(H,17,19)
InChIKeyFLJQFUUVTWCQHL-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.44
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide (PubChem CID 80527451) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
PubChem CID80527451
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCCNCC1)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-15(2,13-5-3-10-20-13)12-17-14(19)11-18-8-4-6-16-7-9-18/h3,5,10,16H,4,6-9,11-12H2,1-2H3,(H,17,19)
InChIKeyFLJQFUUVTWCQHL-UHFFFAOYSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 80524381
2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 62832743
N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945485
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
2-(1,4-diazepan-1-yl)-1-thiophen-2-ylethanone;hydrochloride
CID 71645016
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
N-(2-methyl-2-thiophen-2-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032820
2-(1,4-diazepan-1-yl)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 79100773
1-(1,4-diazepan-1-yl)-2-methyl-2-thiophen-2-ylpropan-1-one;hydrochloride
CID 119417566

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide (CID 80527451) is 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide is CC(C)(CNC(=O)CN1CCCNCC1)c1cccs1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is FLJQFUUVTWCQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,13-5-3-10-20-13)12-17-14(19)11-18-8-4-6-16-7-9-18/h3,5,10,16H,4,6-9,11-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 80527451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).