N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide

C11H19N3O2S — CID 174468655

IUPACN-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide
SMILESCc1c(N)cc(CCNS(C)(=O)=O)c(N)c1C
InChIInChI=1S/C11H19N3O2S/c1-7-8(2)11(13)9(6-10(7)12)4-5-14-17(3,15)16/h6,14H,4-5,12-13H2,1-3H3
InChIKeyFHFZKTUTEXQUAX-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.56
Rot. Bonds4

About N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide

N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide (PubChem CID 174468655) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide
PubChem CID174468655
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide
SMILESCc1c(N)cc(CCNS(C)(=O)=O)c(N)c1C
InChIInChI=1S/C11H19N3O2S/c1-7-8(2)11(13)9(6-10(7)12)4-5-14-17(3,15)16/h6,14H,4-5,12-13H2,1-3H3
InChIKeyFHFZKTUTEXQUAX-UHFFFAOYSA-N
XLogP0.56
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
CID 110787932
3-amino-5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylbenzenesulfonamide
CID 106333213
3-amino-5-chloro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 106333250
4-chloro-2-[2-(methanesulfonamido)ethyl]benzenesulfonic acid
CID 54148909
N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
CID 122140732
N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18432255
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 110789595
bis(N-[2-[2-(4-amino-3-methylphenyl)ethylamino]ethyl]methanesulfonamide);sulfuric acid
CID 170839739
[4-azaniumyl-3-[2-(methanesulfonamido)ethyl]phenyl]-diethylazanium
CID 23382922
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide (CID 174468655) is N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide is Cc1c(N)cc(CCNS(C)(=O)=O)c(N)c1C.
What is the InChIKey of N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide?
The InChIKey is FHFZKTUTEXQUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7-8(2)11(13)9(6-10(7)12)4-5-14-17(3,15)16/h6,14H,4-5,12-13H2,1-3H3.
What are the key properties of N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide?
N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-diamino-3,4-dimethylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 174468655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).