2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H25N3O3S — CID 2099648

IUPAC2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H25N3O3S/c1-13-3-2-10-19(11-13)12-16(20)18-9-8-14-4-6-15(7-5-14)23(17,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)(H2,17,21,22)/t13-/m0/s1
InChIKeyDFPAWFRIDCJLIG-ZDUSSCGKSA-N
MW339.46 g/mol
LogP0.72
Rot. Bonds6

About 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2099648) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2099648
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H25N3O3S/c1-13-3-2-10-19(11-13)12-16(20)18-9-8-14-4-6-15(7-5-14)23(17,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)(H2,17,21,22)/t13-/m0/s1
InChIKeyDFPAWFRIDCJLIG-ZDUSSCGKSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 46685647
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 108964998
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 120776717
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40985153
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919792

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2099648) is 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is C[C@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is DFPAWFRIDCJLIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13-3-2-10-19(11-13)12-16(20)18-9-8-14-4-6-15(7-5-14)23(17,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)(H2,17,21,22)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2099648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).