N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide

C12H21N3O2S — CID 56991431

IUPACN-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide
SMILESCCN(CC)c1ccc(N)c(CNS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-4-15(5-2)11-6-7-12(13)10(8-11)9-14-18(3,16)17/h6-8,14H,4-5,9,13H2,1-3H3
InChIKeyYZBWVMZWDVSHNZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.16
Rot. Bonds6

About N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide

N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide (PubChem CID 56991431) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide
PubChem CID56991431
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide
SMILESCCN(CC)c1ccc(N)c(CNS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-4-15(5-2)11-6-7-12(13)10(8-11)9-14-18(3,16)17/h6-8,14H,4-5,9,13H2,1-3H3
InChIKeyYZBWVMZWDVSHNZ-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.16
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

4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
CID 23320322
tetrakis(N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide);sulfuric acid
CID 173415406
N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide
CID 88656162
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;sulfate;hydrate
CID 22486762
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
4-N,4-N-diethyl-2-N,2-N-dimethylbenzene-1,2,4-triamine;sulfuric acid;hydrate
CID 70407721
3-(4-amino-N,3-diethylanilino)propan-1-ol
CID 18004349
N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
CID 21292728
N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride
CID 67864245
N-[1-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;4-N,4-N-diethylbenzene-1,4-diamine;4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 70270902

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide (CID 56991431) is N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide is CCN(CC)c1ccc(N)c(CNS(C)(=O)=O)c1.
What is the InChIKey of N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide?
The InChIKey is YZBWVMZWDVSHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15(5-2)11-6-7-12(13)10(8-11)9-14-18(3,16)17/h6-8,14H,4-5,9,13H2,1-3H3.
What are the key properties of N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide?
N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 56991431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).