2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide

C14H28N4O3S — CID 41312033

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H28N4O3S/c1-2-15-14(19)13-16-9-11-18(12-10-16)22(20,21)17-7-5-3-4-6-8-17/h2-13H2,1H3,(H,15,19)
InChIKeyWRHOXPCHJPSCNR-UHFFFAOYSA-N
MW332.47 g/mol
LogP-0.14
Rot. Bonds5

About 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 41312033) has the molecular formula C14H28N4O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide
PubChem CID41312033
Molecular FormulaC14H28N4O3S
Molecular Weight332.47 g/mol
Exact Mass332.19
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H28N4O3S/c1-2-15-14(19)13-16-9-11-18(12-10-16)22(20,21)17-7-5-3-4-6-8-17/h2-13H2,1H3,(H,15,19)
InChIKeyWRHOXPCHJPSCNR-UHFFFAOYSA-N
XLogP-0.14
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[azepan-1-ylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
CID 16589538
2-[azepan-1-ylsulfonyl(ethyl)amino]-N-methylacetamide
CID 37563608
2-[ethyl(piperidin-1-ylsulfonyl)amino]-N-methylacetamide
CID 37563669
2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 42955123
1-(Piperazin-1-ylacetyl)azepane
CID 7131459
4-[2-(Azepan-1-yl)-2-oxoethyl]piperazin-2-one
CID 24428079
N-cyclohexyl-N-methyl-3-oxopiperazine-1-sulfonamide
CID 37225406
N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-1-sulfonamide
CID 39667501
N-cyclohexyl-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1442490
2-(azepan-1-ylsulfonylamino)-N-propylacetamide
CID 18148474
1-n-Hexyl-2,3-dioxopiperazine
CID 12542705
N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 40230921

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide (CID 41312033) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is WRHOXPCHJPSCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3S/c1-2-15-14(19)13-16-9-11-18(12-10-16)22(20,21)17-7-5-3-4-6-8-17/h2-13H2,1H3,(H,15,19).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 332.47 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 41312033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).