2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide

C16H33N3O3S — CID 95351505

IUPAC2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
SMILESCCN(CC)S(=O)(=O)CC(=O)NCCCCN1CCC[C@H](C)C1
InChIInChI=1S/C16H33N3O3S/c1-4-19(5-2)23(21,22)14-16(20)17-10-6-7-11-18-12-8-9-15(3)13-18/h15H,4-14H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyJVOAFSDRXOKRON-HNNXBMFYSA-N
MW347.53 g/mol
LogP1.29
Rot. Bonds10

About 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide

2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide (PubChem CID 95351505) has the molecular formula C16H33N3O3S and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide.

Molecular Properties

Compound Name2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
PubChem CID95351505
Molecular FormulaC16H33N3O3S
Molecular Weight347.53 g/mol
Exact Mass347.22
IUPAC Name2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
SMILESCCN(CC)S(=O)(=O)CC(=O)NCCCCN1CCC[C@H](C)C1
InChIInChI=1S/C16H33N3O3S/c1-4-19(5-2)23(21,22)14-16(20)17-10-6-7-11-18-12-8-9-15(3)13-18/h15H,4-14H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyJVOAFSDRXOKRON-HNNXBMFYSA-N
XLogP1.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
CID 119852727
4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 120595508
N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437965
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide?
The IUPAC name of 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide (CID 95351505) is 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide.
What is the SMILES notation for 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide?
The canonical SMILES for 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide is CCN(CC)S(=O)(=O)CC(=O)NCCCCN1CCC[C@H](C)C1.
What is the InChIKey of 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide?
The InChIKey is JVOAFSDRXOKRON-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H33N3O3S/c1-4-19(5-2)23(21,22)14-16(20)17-10-6-7-11-18-12-8-9-15(3)13-18/h15H,4-14H2,1-3H3,(H,17,20)/t15-/m0/s1.
What are the key properties of 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide?
2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide has a molecular weight of 347.53 g/mol, XLogP of 1.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide is sourced from PubChem (CID 95351505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).