1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride

C9H13ClN4O4S — CID 82913411

IUPAC1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NC(N)=O
InChIInChI=1S/C9H13ClN4O4S/c1-5(2)8-13-7(19(10,17)18)4-14(8)3-6(15)12-9(11)16/h4-5H,3H2,1-2H3,(H3,11,12,15,16)
InChIKeyKUNIDBSCBQUJKN-UHFFFAOYSA-N
MW308.75 g/mol
LogP0.13
Rot. Bonds4

About 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride

1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride (PubChem CID 82913411) has the molecular formula C9H13ClN4O4S and a molecular weight of 308.75 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
PubChem CID82913411
Molecular FormulaC9H13ClN4O4S
Molecular Weight308.75 g/mol
Exact Mass308.03
IUPAC Name1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NC(N)=O
InChIInChI=1S/C9H13ClN4O4S/c1-5(2)8-13-7(19(10,17)18)4-14(8)3-6(15)12-9(11)16/h4-5H,3H2,1-2H3,(H3,11,12,15,16)
InChIKeyKUNIDBSCBQUJKN-UHFFFAOYSA-N
XLogP0.13
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride (CID 82913411) is 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride is CC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NC(N)=O.
What is the InChIKey of 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The InChIKey is KUNIDBSCBQUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O4S/c1-5(2)8-13-7(19(10,17)18)4-14(8)3-6(15)12-9(11)16/h4-5H,3H2,1-2H3,(H3,11,12,15,16).
What are the key properties of 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride has a molecular weight of 308.75 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).