N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride

C19H30ClN3O4S — CID 119603567

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCC3CN)c2)CC(C)O1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-13-11-22(12-14(2)26-13)27(24,25)17-7-3-5-15(9-17)19(23)21-18-8-4-6-16(18)10-20;/h3,5,7,9,13-14,16,18H,4,6,8,10-12,20H2,1-2H3,(H,21,23);1H
InChIKeyAGWMPQRPWXQKHJ-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119603567) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
PubChem CID119603567
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCC3CN)c2)CC(C)O1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-13-11-22(12-14(2)26-13)27(24,25)17-7-3-5-15(9-17)19(23)21-18-8-4-6-16(18)10-20;/h3,5,7,9,13-14,16,18H,4,6,8,10-12,20H2,1-2H3,(H,21,23);1H
InChIKeyAGWMPQRPWXQKHJ-UHFFFAOYSA-N
XLogP1.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 129376632
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119604999
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119607730
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
N-(1-amino-4-methylpentan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119587562
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 119607731
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 25426326
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride (CID 119603567) is N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride is CC1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCC3CN)c2)CC(C)O1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is AGWMPQRPWXQKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-13-11-22(12-14(2)26-13)27(24,25)17-7-3-5-15(9-17)19(23)21-18-8-4-6-16(18)10-20;/h3,5,7,9,13-14,16,18H,4,6,8,10-12,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119603567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).