1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride

C10H16ClN3O3S — CID 82913349

IUPAC1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride
SMILESCC(C)CNC(=O)C(C)n1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H16ClN3O3S/c1-7(2)4-12-10(15)8(3)14-5-9(13-6-14)18(11,16)17/h5-8H,4H2,1-3H3,(H,12,15)
InChIKeyKKERWETVMVXUAE-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.14
Rot. Bonds5

About 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride

1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride (PubChem CID 82913349) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride
PubChem CID82913349
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride
SMILESCC(C)CNC(=O)C(C)n1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H16ClN3O3S/c1-7(2)4-12-10(15)8(3)14-5-9(13-6-14)18(11,16)17/h5-8H,4H2,1-3H3,(H,12,15)
InChIKeyKKERWETVMVXUAE-UHFFFAOYSA-N
XLogP1.14
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride?
The IUPAC name of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride (CID 82913349) is 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride is CC(C)CNC(=O)C(C)n1cnc(S(=O)(=O)Cl)c1.
What is the InChIKey of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride?
The InChIKey is KKERWETVMVXUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-7(2)4-12-10(15)8(3)14-5-9(13-6-14)18(11,16)17/h5-8H,4H2,1-3H3,(H,12,15).
What are the key properties of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride?
1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride has a molecular weight of 293.78 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).