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

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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).