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

C10H18N4O2S — CID 65417252

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)C1CCNC1
InChIInChI=1S/C10H18N4O2S/c1-13-6-5-12-10(13)8-14(2)17(15,16)9-3-4-11-7-9/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyMSUGPASECVYXOS-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.46
Rot. Bonds4

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

N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 65417252) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide
PubChem CID65417252
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)C1CCNC1
InChIInChI=1S/C10H18N4O2S/c1-13-6-5-12-10(13)8-14(2)17(15,16)9-3-4-11-7-9/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyMSUGPASECVYXOS-UHFFFAOYSA-N
XLogP-0.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide (CID 65417252) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide is CN(Cc1nccn1C)S(=O)(=O)C1CCNC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is MSUGPASECVYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-13-6-5-12-10(13)8-14(2)17(15,16)9-3-4-11-7-9/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65417252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).