N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

C12H20N4O2S — CID 62066991

IUPACN-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC(C)C#N)nc1C
InChIInChI=1S/C12H20N4O2S/c1-5-6-16-9-12(14-11(16)3)19(17,18)15(4)8-10(2)7-13/h9-10H,5-6,8H2,1-4H3
InChIKeyZUTQQGGSAIOVMD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.38
Rot. Bonds6

About N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (PubChem CID 62066991) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
PubChem CID62066991
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC(C)C#N)nc1C
InChIInChI=1S/C12H20N4O2S/c1-5-6-16-9-12(14-11(16)3)19(17,18)15(4)8-10(2)7-13/h9-10H,5-6,8H2,1-4H3
InChIKeyZUTQQGGSAIOVMD-UHFFFAOYSA-N
XLogP1.38
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62064623
N'-hydroxy-2-methyl-3-[methyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanimidamide
CID 76933289
N-(2-chloro-3-methoxypropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63400494
N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63396389
N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 64591736
N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
CID 62064978
N-(cyanomethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
CID 62064624
N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 80674891
N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 62063542
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanethioamide
CID 55030437
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62062481
N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 63397074

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (CID 62066991) is N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CC(C)C#N)nc1C.
What is the InChIKey of N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The InChIKey is ZUTQQGGSAIOVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-5-6-16-9-12(14-11(16)3)19(17,18)15(4)8-10(2)7-13/h9-10H,5-6,8H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62066991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).