1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride

C10H14ClN3O3S — CID 82911022

IUPAC1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC1CC1
InChIInChI=1S/C10H14ClN3O3S/c1-7-12-10(18(11,16)17)6-14(7)5-4-9(15)13-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,15)
InChIKeyFNTSTPUAYCIMDU-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.79
Rot. Bonds5

About 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride

1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride (PubChem CID 82911022) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride
PubChem CID82911022
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC1CC1
InChIInChI=1S/C10H14ClN3O3S/c1-7-12-10(18(11,16)17)6-14(7)5-4-9(15)13-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,15)
InChIKeyFNTSTPUAYCIMDU-UHFFFAOYSA-N
XLogP0.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride (CID 82911022) is 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride?
The InChIKey is FNTSTPUAYCIMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-7-12-10(18(11,16)17)6-14(7)5-4-9(15)13-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,15).
What are the key properties of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride?
1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride has a molecular weight of 291.76 g/mol, XLogP of 0.79, 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]-2-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).