N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

C17H25N3O3S — CID 119563230

IUPACN-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1
InChIInChI=1S/C17H25N3O3S/c1-18-15-7-9-20(10-8-15)17(21)14-3-2-4-16(11-14)24(22,23)19-12-13-5-6-13/h2-4,11,13,15,18-19H,5-10,12H2,1H3
InChIKeyOROHSCVIQDWTNS-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.20
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 119563230) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID119563230
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1
InChIInChI=1S/C17H25N3O3S/c1-18-15-7-9-20(10-8-15)17(21)14-3-2-4-16(11-14)24(22,23)19-12-13-5-6-13/h2-4,11,13,15,18-19H,5-10,12H2,1H3
InChIKeyOROHSCVIQDWTNS-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 119486514
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-(cyclopropylmethyl)-3-(3-methyl-4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 126817604
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37002112
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259392
N-(cyclopropylmethyl)-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956827
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (CID 119563230) is N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is CNC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is OROHSCVIQDWTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-18-15-7-9-20(10-8-15)17(21)14-3-2-4-16(11-14)24(22,23)19-12-13-5-6-13/h2-4,11,13,15,18-19H,5-10,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 119563230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).