N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide

C12H19N3O3S — CID 18788006

IUPACN-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide
SMILESCCN(CCNS(C)(=O)=O)c1ccc(N=O)cc1C
InChIInChI=1S/C12H19N3O3S/c1-4-15(8-7-13-19(3,17)18)12-6-5-11(14-16)9-10(12)2/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyVDLMZACLFYLZEB-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide

N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide (PubChem CID 18788006) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide
PubChem CID18788006
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide
SMILESCCN(CCNS(C)(=O)=O)c1ccc(N=O)cc1C
InChIInChI=1S/C12H19N3O3S/c1-4-15(8-7-13-19(3,17)18)12-6-5-11(14-16)9-10(12)2/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyVDLMZACLFYLZEB-UHFFFAOYSA-N
XLogP1.77
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
CID 66693
N-(2-(4-Amino-N-ethyl-M-toluidino)ethyl)methanesulfonamide sesquisulfate
CID 91578
N-(2-(Ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide
CID 41694
1-(Methylsulfonyl)-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
CID 3733755
N-Ethyl-2-methyl-4-nitroaniline
CID 643521
1-(Methylsulfonyl)indolin-5-amine
CID 735917
Cambridge id 5209248
CID 2833381
N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 71989095
N-Ethyl-N-(beta-methylsulfonamidoethyl)-m-toluidine
CID 168663
Methanesulfonamide, N-(2-(2-amino-5-(diethylamino)phenyl)ethyl)-, hydrochloride
CID 112753
1-Butanesulfonic acid, 4-((4-amino-3-methylphenyl)(1-methylethyl)amino)-
CID 103045
N-(2-((4-Amino-3-methylphenyl)(ethyl)amino)ethyl)methanesulfonamide sesquisulfate hydrate
CID 44783982

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide (CID 18788006) is N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide is CCN(CCNS(C)(=O)=O)c1ccc(N=O)cc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide?
The InChIKey is VDLMZACLFYLZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-15(8-7-13-19(3,17)18)12-6-5-11(14-16)9-10(12)2/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide?
N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 18788006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).