N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide

C16H30N4O4S — CID 55528822

IUPACN,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C16H30N4O4S/c1-3-19(4-2)25(23,24)20-12-10-17(11-13-20)16(22)14-18-9-7-5-6-8-15(18)21/h3-14H2,1-2H3
InChIKeyYYTHISXSUIMZJK-UHFFFAOYSA-N
MW374.51 g/mol
LogP0.12
Rot. Bonds6

About N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide

N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide (PubChem CID 55528822) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide
PubChem CID55528822
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC NameN,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C16H30N4O4S/c1-3-19(4-2)25(23,24)20-12-10-17(11-13-20)16(22)14-18-9-7-5-6-8-15(18)21/h3-14H2,1-2H3
InChIKeyYYTHISXSUIMZJK-UHFFFAOYSA-N
XLogP0.12
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide 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,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide (CID 55528822) is N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1.
What is the InChIKey of N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide?
The InChIKey is YYTHISXSUIMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c1-3-19(4-2)25(23,24)20-12-10-17(11-13-20)16(22)14-18-9-7-5-6-8-15(18)21/h3-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(2-oxoazepan-1-yl)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55528822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).