N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide

C10H18N4O2S — CID 65420258

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C10H18N4O2S/c1-14-7-6-12-10(14)3-5-13-17(15,16)9-2-4-11-8-9/h6-7,9,11,13H,2-5,8H2,1H3
InChIKeyYYAAUYAREPBQPT-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.76
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide

N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide (PubChem CID 65420258) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide
PubChem CID65420258
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C10H18N4O2S/c1-14-7-6-12-10(14)3-5-13-17(15,16)9-2-4-11-8-9/h6-7,9,11,13H,2-5,8H2,1H3
InChIKeyYYAAUYAREPBQPT-UHFFFAOYSA-N
XLogP-0.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(2-nitroimidazol-1-yl)propane-1-sulfonamide
CID 375689
8-Ethylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739158
8-Propylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118743103
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CID 91629000
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)propane-1-sulfonamide
CID 91629001
4-(1-Butyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 16069366
1-(1-Butyl-3-imidazolio)propane-3-sulfonate
CID 47157790
4-(1-Methyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 58194021
1-(1-Ethyl-3-imidazolio)butane-4-sulfonate
CID 71581764
2-(1-Ethyl-3-methylimidazol-3-ium-2-yl)ethanesulfonic acid
CID 90965873

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide (CID 65420258) is N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide is Cn1ccnc1CCNS(=O)(=O)C1CCNC1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide?
The InChIKey is YYAAUYAREPBQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14-7-6-12-10(14)3-5-13-17(15,16)9-2-4-11-8-9/h6-7,9,11,13H,2-5,8H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide?
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65420258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).