N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride

C12H22ClN3O2S — CID 23320322

IUPACN-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
SMILESCCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1.Cl
InChIInChI=1S/C12H21N3O2S.ClH/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;/h5-6,9,14H,4,7-8,13H2,1-3H3;1H
InChIKeyYTAGNDKLJREJEG-UHFFFAOYSA-N
MW307.85 g/mol
LogP1.37
Rot. Bonds6

About N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride

N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride (PubChem CID 23320322) has the molecular formula C12H22ClN3O2S and a molecular weight of 307.85 g/mol. Its IUPAC name is N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
PubChem CID23320322
Molecular FormulaC12H22ClN3O2S
Molecular Weight307.85 g/mol
Exact Mass307.11
IUPAC NameN-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
SMILESCCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1.Cl
InChIInChI=1S/C12H21N3O2S.ClH/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;/h5-6,9,14H,4,7-8,13H2,1-3H3;1H
InChIKeyYTAGNDKLJREJEG-UHFFFAOYSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tetrakis(N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide);sulfuric acid
CID 173415406
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;sulfate;hydrate
CID 22486762
N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
CID 21292728
[4-amino-N-[2-(methanesulfonamido)ethyl]-3-methylanilino] hydrogen sulfate
CID 88844842
4-[[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]diazenyl]benzenesulfonate
CID 35206132
N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide
CID 56991431
2-[2-[[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamoyloxy]ethylsulfonylmethylsulfonyl]ethyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22948506
2-(4-amino-N-ethyl-3-methylanilino)ethyl nitrate
CID 131700851
(4-formylphenyl)methyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22095187
1-amino-4-[ethyl-[2-[methyl(sulfino)amino]ethyl]amino]-2-methylbenzene
CID 22075016
N-[2-(4-amino-N,2-diethyl-3-methylanilino)ethyl]methanesulfonamide;sulfuric acid;hydrate
CID 67688856
2-(4-amino-N-ethyl-3-methylanilino)acetamide
CID 54103671

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride (CID 23320322) is N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride is CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1.Cl.
What is the InChIKey of N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride?
The InChIKey is YTAGNDKLJREJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S.ClH/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;/h5-6,9,14H,4,7-8,13H2,1-3H3;1H.
What are the key properties of N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride?
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride has a molecular weight of 307.85 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 23320322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).