N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide

C10H21N3O3S — CID 102736166

IUPACN-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)CCN)CC1
InChIInChI=1S/C10H21N3O3S/c1-9(14)12-8-10-2-5-13(6-3-10)17(15,16)7-4-11/h10H,2-8,11H2,1H3,(H,12,14)
InChIKeyOLESZKDQKIQLDC-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.88
Rot. Bonds5

About N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736166) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736166
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)CCN)CC1
InChIInChI=1S/C10H21N3O3S/c1-9(14)12-8-10-2-5-13(6-3-10)17(15,16)7-4-11/h10H,2-8,11H2,1H3,(H,12,14)
InChIKeyOLESZKDQKIQLDC-UHFFFAOYSA-N
XLogP-0.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide 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

N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 103850354
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
N-[[1-(1-amino-1-sulfanylidenepropan-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102736314
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102736733
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 131908741
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide (CID 102736166) is N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(S(=O)(=O)CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is OLESZKDQKIQLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-9(14)12-8-10-2-5-13(6-3-10)17(15,16)7-4-11/h10H,2-8,11H2,1H3,(H,12,14).
What are the key properties of N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 263.36 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).