2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide

C13H24N4O2S — CID 106608449

IUPAC2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C13H24N4O2S/c1-3-8-17(10-11-6-5-7-14-11)20(18,19)13-9-15-12(4-2)16-13/h9,11,14H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyMVVNQYFWBDKRSW-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.12
Rot. Bonds7

About 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide

2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide (PubChem CID 106608449) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
PubChem CID106608449
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C13H24N4O2S/c1-3-8-17(10-11-6-5-7-14-11)20(18,19)13-9-15-12(4-2)16-13/h9,11,14H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyMVVNQYFWBDKRSW-UHFFFAOYSA-N
XLogP1.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106609971
N-(dipropylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599557
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 102633958

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide (CID 106608449) is 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide is CCCN(CC1CCCN1)S(=O)(=O)c1cnc(CC)[nH]1.
What is the InChIKey of 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is MVVNQYFWBDKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-8-17(10-11-6-5-7-14-11)20(18,19)13-9-15-12(4-2)16-13/h9,11,14H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106608449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).