1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride

C13H21ClN2O3S — CID 65166085

IUPAC1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCCC1CCCO1
InChIInChI=1S/C13H21ClN2O3S/c1-2-5-12-15-13(20(14,17)18)10-16(12)8-3-6-11-7-4-9-19-11/h10-11H,2-9H2,1H3
InChIKeyFVUJWLWEXSMSSO-UHFFFAOYSA-N
MW320.84 g/mol
LogP2.72
Rot. Bonds7

About 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride

1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride (PubChem CID 65166085) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride
PubChem CID65166085
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCCC1CCCO1
InChIInChI=1S/C13H21ClN2O3S/c1-2-5-12-15-13(20(14,17)18)10-16(12)8-3-6-11-7-4-9-19-11/h10-11H,2-9H2,1H3
InChIKeyFVUJWLWEXSMSSO-UHFFFAOYSA-N
XLogP2.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride
CID 82913869
1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81340007
1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride
CID 82911662
3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
CID 65165875
1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride
CID 65457015
2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride
CID 83160660
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
CID 116618876
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
CID 79986071
2,6-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonyl chloride
CID 65163378
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride (CID 65166085) is 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride is CCCc1nc(S(=O)(=O)Cl)cn1CCCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride?
The InChIKey is FVUJWLWEXSMSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-2-5-12-15-13(20(14,17)18)10-16(12)8-3-6-11-7-4-9-19-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride?
1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride has a molecular weight of 320.84 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 65166085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).