N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide

C16H25N3O3S — CID 95215747

IUPACN-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
SMILESCCCN1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H25N3O3S/c1-2-9-19-10-3-4-13(12-19)11-18-16(20)14-5-7-15(8-6-14)23(17,21)22/h5-8,13H,2-4,9-12H2,1H3,(H,18,20)(H2,17,21,22)/t13-/m1/s1
InChIKeyOLNOTJDMTMWZKJ-CYBMUJFWSA-N
MW339.46 g/mol
LogP1.19
Rot. Bonds6

About N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide

N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide (PubChem CID 95215747) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
PubChem CID95215747
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
SMILESCCCN1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H25N3O3S/c1-2-9-19-10-3-4-13(12-19)11-18-16(20)14-5-7-15(8-6-14)23(17,21)22/h5-8,13H,2-4,9-12H2,1H3,(H,18,20)(H2,17,21,22)/t13-/m1/s1
InChIKeyOLNOTJDMTMWZKJ-CYBMUJFWSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
1-ethyl-N-[(1-propylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 56706392
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide (CID 95215747) is N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide is CCCN1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide?
The InChIKey is OLNOTJDMTMWZKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-9-19-10-3-4-13(12-19)11-18-16(20)14-5-7-15(8-6-14)23(17,21)22/h5-8,13H,2-4,9-12H2,1H3,(H,18,20)(H2,17,21,22)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide?
N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 95215747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).