1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride

C9H12ClN3O3S — CID 82911398

IUPAC1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride
SMILESO=C(CCn1cnc(S(=O)(=O)Cl)c1)NC1CC1
InChIInChI=1S/C9H12ClN3O3S/c10-17(15,16)9-5-13(6-11-9)4-3-8(14)12-7-1-2-7/h5-7H,1-4H2,(H,12,14)
InChIKeyLTXRPWNBFMODIQ-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.48
Rot. Bonds5

About 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride

1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride (PubChem CID 82911398) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride
PubChem CID82911398
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride
SMILESO=C(CCn1cnc(S(=O)(=O)Cl)c1)NC1CC1
InChIInChI=1S/C9H12ClN3O3S/c10-17(15,16)9-5-13(6-11-9)4-3-8(14)12-7-1-2-7/h5-7H,1-4H2,(H,12,14)
InChIKeyLTXRPWNBFMODIQ-UHFFFAOYSA-N
XLogP0.48
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide
CID 106717486
1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride
CID 82912245
1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911022
1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
CID 80694960
1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride
CID 82912678
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855
N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide
CID 96566390
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
N-cyclopropyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 112731299
1-prop-2-enylimidazole-4-sulfonyl chloride
CID 82911418

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride (CID 82911398) is 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride is O=C(CCn1cnc(S(=O)(=O)Cl)c1)NC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride?
The InChIKey is LTXRPWNBFMODIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c10-17(15,16)9-5-13(6-11-9)4-3-8(14)12-7-1-2-7/h5-7H,1-4H2,(H,12,14).
What are the key properties of 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride?
1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride has a molecular weight of 277.73 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).