N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide

C11H21N3O2S — CID 64591736

IUPACN,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC)CC)nc1C
InChIInChI=1S/C11H21N3O2S/c1-5-8-13-9-11(12-10(13)4)17(15,16)14(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyKWQHMAGRSYFDPD-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.63
Rot. Bonds6

About N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide

N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 64591736) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID64591736
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC)CC)nc1C
InChIInChI=1S/C11H21N3O2S/c1-5-8-13-9-11(12-10(13)4)17(15,16)14(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyKWQHMAGRSYFDPD-UHFFFAOYSA-N
XLogP1.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62066618
N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63396389
N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62064623
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62062481
N-(2-chloroethyl)-2-methyl-N-pentan-3-yl-1-propylimidazole-4-sulfonamide
CID 63400927
N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 62063542
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 79387609
N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62061953
N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62066991
N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 80674891
N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
CID 62061368
1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
CID 55030676

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide (CID 64591736) is N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CC)CC)nc1C.
What is the InChIKey of N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is KWQHMAGRSYFDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-8-13-9-11(12-10(13)4)17(15,16)14(6-2)7-3/h9H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide?
N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 64591736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).