N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride

C11H24ClN3O4S — CID 119634250

IUPACN-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)NCC(=O)N1CCCC1CN.Cl
InChIInChI=1S/C11H23N3O4S.ClH/c1-2-18-6-7-19(16,17)13-9-11(15)14-5-3-4-10(14)8-12;/h10,13H,2-9,12H2,1H3;1H
InChIKeyUINBVGYTZCBECB-UHFFFAOYSA-N
MW329.85 g/mol
LogP-0.69
Rot. Bonds8

About N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride (PubChem CID 119634250) has the molecular formula C11H24ClN3O4S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
PubChem CID119634250
Molecular FormulaC11H24ClN3O4S
Molecular Weight329.85 g/mol
Exact Mass329.12
IUPAC NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)NCC(=O)N1CCCC1CN.Cl
InChIInChI=1S/C11H23N3O4S.ClH/c1-2-18-6-7-19(16,17)13-9-11(15)14-5-3-4-10(14)8-12;/h10,13H,2-9,12H2,1H3;1H
InChIKeyUINBVGYTZCBECB-UHFFFAOYSA-N
XLogP-0.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide
CID 119631281
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
CID 119381316
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119631400
2-ethoxy-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119647948
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
CID 120805326
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119633825
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 119468639
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 84706589
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119468022
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride (CID 119634250) is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride is CCOCCS(=O)(=O)NCC(=O)N1CCCC1CN.Cl.
What is the InChIKey of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride?
The InChIKey is UINBVGYTZCBECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S.ClH/c1-2-18-6-7-19(16,17)13-9-11(15)14-5-3-4-10(14)8-12;/h10,13H,2-9,12H2,1H3;1H.
What are the key properties of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride?
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 119634250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).