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

C13H24N4O2S — CID 106607858

IUPAC1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C13H24N4O2S/c1-4-16-9-13(15-10-16)20(18,19)17(11(2)3)8-12-6-5-7-14-12/h9-12,14H,4-8H2,1-3H3
InChIKeyKBVVPOSPRUPCLR-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.05
Rot. Bonds6

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

1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (PubChem CID 106607858) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
PubChem CID106607858
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C13H24N4O2S/c1-4-16-9-13(15-10-16)20(18,19)17(11(2)3)8-12-6-5-7-14-12/h9-12,14H,4-8H2,1-3H3
InChIKeyKBVVPOSPRUPCLR-UHFFFAOYSA-N
XLogP1.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607634
1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106610075
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 106630977
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
CID 79369669
N-(diethylsulfamoyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106630194
5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106607862
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630208
1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
CID 114088856
3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607691

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (CID 106607858) is 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(CC2CCCN2)C(C)C)c1.
What is the InChIKey of 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is KBVVPOSPRUPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-16-9-13(15-10-16)20(18,19)17(11(2)3)8-12-6-5-7-14-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 106607858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).