1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide

C10H18N4O2S — CID 15100230

IUPAC1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCCC2)c1
InChIInChI=1S/C10H18N4O2S/c1-13-8-10(11-9-13)17(15,16)12-4-7-14-5-2-3-6-14/h8-9,12H,2-7H2,1H3
InChIKeyCMHXDWZFQNWHEX-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.21
Rot. Bonds5

About 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide

1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide (PubChem CID 15100230) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
PubChem CID15100230
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCCC2)c1
InChIInChI=1S/C10H18N4O2S/c1-13-8-10(11-9-13)17(15,16)12-4-7-14-5-2-3-6-14/h8-9,12H,2-7H2,1H3
InChIKeyCMHXDWZFQNWHEX-UHFFFAOYSA-N
XLogP-0.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide (CID 15100230) is 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCN2CCCC2)c1.
What is the InChIKey of 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
The InChIKey is CMHXDWZFQNWHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-13-8-10(11-9-13)17(15,16)12-4-7-14-5-2-3-6-14/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide?
1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 15100230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).