N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide

C11H19N3O2S — CID 91629001

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ccnc1C1CC1
InChIInChI=1S/C11H19N3O2S/c1-2-9-17(15,16)13-6-8-14-7-5-12-11(14)10-3-4-10/h5,7,10,13H,2-4,6,8-9H2,1H3
InChIKeyAGTBMGJBWYVXJA-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.09
Rot. Bonds7

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 91629001) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID91629001
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ccnc1C1CC1
InChIInChI=1S/C11H19N3O2S/c1-2-9-17(15,16)13-6-8-14-7-5-12-11(14)10-3-4-10/h5,7,10,13H,2-4,6,8-9H2,1H3
InChIKeyAGTBMGJBWYVXJA-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(8-propylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methanamine
CID 118743097
4-(3-Methylimidazol-3-ium-1-yl)butane-1-sulfonic acid
CID 11290045
4-((1H-imidazol-1-yl)methyl)-1-(cyclopropylsulfonyl)piperidine
CID 71781104
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamide
CID 91629000
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-1-propanesulfonamide
CID 91911722
1-Butyl-3-(4-sulfobutyl)-1H-imidazolium
CID 11475375
4-(1-Butyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 16069366
3-(3-Butylimidazol-1-ium-1-yl)propane-1-sulfonic acid
CID 44248949
1-(1-Butyl-3-imidazolio)propane-3-sulfonate
CID 47157790
4-(1-Methyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 58194021
1-(1-Ethyl-3-imidazolio)butane-4-sulfonate
CID 71581764
2-(1-Ethyl-3-methylimidazol-3-ium-2-yl)ethanesulfonic acid
CID 90965873

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide (CID 91629001) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1ccnc1C1CC1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is AGTBMGJBWYVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-9-17(15,16)13-6-8-14-7-5-12-11(14)10-3-4-10/h5,7,10,13H,2-4,6,8-9H2,1H3.
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 91629001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).