3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide

C16H23N3O3S — CID 119376148

IUPAC3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1
InChIInChI=1S/C16H23N3O3S/c17-14-6-8-19(9-7-14)16(20)13-2-1-3-15(10-13)23(21,22)18-11-12-4-5-12/h1-3,10,12,14,18H,4-9,11,17H2
InChIKeyXBPWGUNMOCRUDE-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.94
Rot. Bonds5

About 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide

3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 119376148) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID119376148
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1
InChIInChI=1S/C16H23N3O3S/c17-14-6-8-19(9-7-14)16(20)13-2-1-3-15(10-13)23(21,22)18-11-12-4-5-12/h1-3,10,12,14,18H,4-9,11,17H2
InChIKeyXBPWGUNMOCRUDE-UHFFFAOYSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 119486514
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-(cyclopropylmethyl)-3-(3-methyl-4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 126817604
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259392
N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37002112
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide (CID 119376148) is 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide is NC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1.
What is the InChIKey of 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is XBPWGUNMOCRUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-14-6-8-19(9-7-14)16(20)13-2-1-3-15(10-13)23(21,22)18-11-12-4-5-12/h1-3,10,12,14,18H,4-9,11,17H2.
What are the key properties of 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide?
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 119376148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).