1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide

C12H22N4O2S — CID 106607634

IUPAC1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCC(C)N(CC1CCCN1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16(7-11-5-4-6-13-11)19(17,18)12-8-15(3)9-14-12/h8-11,13H,4-7H2,1-3H3
InChIKeyNGGWKIYNMQVJDQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.57
Rot. Bonds5

About 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide

1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (PubChem CID 106607634) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
PubChem CID106607634
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCC(C)N(CC1CCCN1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16(7-11-5-4-6-13-11)19(17,18)12-8-15(3)9-14-12/h8-11,13H,4-7H2,1-3H3
InChIKeyNGGWKIYNMQVJDQ-UHFFFAOYSA-N
XLogP0.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607858
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 106630977
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630208
1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106610075
5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106607862
N-(diethylsulfamoyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106630194
1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607531
2-[(1-methylimidazol-4-yl)methyl]piperidine
CID 130509272

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (CID 106607634) is 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is CC(C)N(CC1CCCN1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is NGGWKIYNMQVJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)16(7-11-5-4-6-13-11)19(17,18)12-8-15(3)9-14-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 106607634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).