N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide

C18H26N2O3S — CID 55655065

IUPACN-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1
InChIInChI=1S/C18H26N2O3S/c1-2-14-5-4-10-20(13-14)18(21)16-6-3-7-17(11-16)24(22,23)19-12-15-8-9-15/h3,6-7,11,14-15,19H,2,4-5,8-10,12-13H2,1H3
InChIKeyPVLHGIWXMJTUQS-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.64
Rot. Bonds6

About N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide

N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 55655065) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID55655065
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1
InChIInChI=1S/C18H26N2O3S/c1-2-14-5-4-10-20(13-14)18(21)16-6-3-7-17(11-16)24(22,23)19-12-15-8-9-15/h3,6-7,11,14-15,19H,2,4-5,8-10,12-13H2,1H3
InChIKeyPVLHGIWXMJTUQS-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 119486514
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
N-(cyclopropylmethyl)-3-(3-methyl-4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 126817604
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
N-(cyclopropylmethyl)-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956827
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
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-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide (CID 55655065) is N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide is CCC1CCCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is PVLHGIWXMJTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-14-5-4-10-20(13-14)18(21)16-6-3-7-17(11-16)24(22,23)19-12-15-8-9-15/h3,6-7,11,14-15,19H,2,4-5,8-10,12-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 350.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55655065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).