1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride

C10H16ClN3O3S — CID 82911287

IUPAC1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC
InChIInChI=1S/C10H16ClN3O3S/c1-3-4-8-13-10(18(11,16)17)7-14(8)6-5-9(15)12-2/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyWHMHSAWPDAGHAG-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.90
Rot. Bonds6

About 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride

1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride (PubChem CID 82911287) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride
PubChem CID82911287
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride
SMILESCCCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC
InChIInChI=1S/C10H16ClN3O3S/c1-3-4-8-13-10(18(11,16)17)7-14(8)6-5-9(15)12-2/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyWHMHSAWPDAGHAG-UHFFFAOYSA-N
XLogP0.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride (CID 82911287) is 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride is CCCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC.
What is the InChIKey of 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride?
The InChIKey is WHMHSAWPDAGHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-3-4-8-13-10(18(11,16)17)7-14(8)6-5-9(15)12-2/h7H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride?
1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride has a molecular weight of 293.78 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).