1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride

C13H20ClN3O3S — CID 82911787

IUPAC1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H20ClN3O3S/c1-3-11-16-12(21(14,19)20)8-17(11)9(2)13(18)15-10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,18)
InChIKeyIOLAFIYOLCMBBZ-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.99
Rot. Bonds5

About 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride

1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride (PubChem CID 82911787) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
PubChem CID82911787
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H20ClN3O3S/c1-3-11-16-12(21(14,19)20)8-17(11)9(2)13(18)15-10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,18)
InChIKeyIOLAFIYOLCMBBZ-UHFFFAOYSA-N
XLogP1.99
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride (CID 82911787) is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1C(C)C(=O)NC1CCCC1.
What is the InChIKey of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
The InChIKey is IOLAFIYOLCMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-3-11-16-12(21(14,19)20)8-17(11)9(2)13(18)15-10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride?
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).