N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

C18H28ClN3O3S — CID 119646580

IUPACN-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-2-19-13-14-9-11-21(12-10-14)18(22)15-3-7-17(8-4-15)25(23,24)20-16-5-6-16;/h3-4,7-8,14,16,19-20H,2,5-6,9-13H2,1H3;1H
InChIKeyGOUAEFMNHIYMLC-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.01
Rot. Bonds7

About N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (PubChem CID 119646580) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
PubChem CID119646580
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-2-19-13-14-9-11-21(12-10-14)18(22)15-3-7-17(8-4-15)25(23,24)20-16-5-6-16;/h3-4,7-8,14,16,19-20H,2,5-6,9-13H2,1H3;1H
InChIKeyGOUAEFMNHIYMLC-UHFFFAOYSA-N
XLogP2.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
[4-(1,3-dithian-2-yl)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645227

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (CID 119646580) is N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is CCNCC1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.Cl.
What is the InChIKey of N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The InChIKey is GOUAEFMNHIYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c1-2-19-13-14-9-11-21(12-10-14)18(22)15-3-7-17(8-4-15)25(23,24)20-16-5-6-16;/h3-4,7-8,14,16,19-20H,2,5-6,9-13H2,1H3;1H.
What are the key properties of N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119646580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).