1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride

C13H22ClN3O3S — CID 82914013

IUPAC1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCCC(CC)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C(C)C
InChIInChI=1S/C13H22ClN3O3S/c1-5-10(6-2)15-11(18)7-17-8-12(21(14,19)20)16-13(17)9(3)4/h8-10H,5-7H2,1-4H3,(H,15,18)
InChIKeyLRHZSFNTUCTGEC-UHFFFAOYSA-N
MW335.86 g/mol
LogP2.24
Rot. Bonds7

About 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride

1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride (PubChem CID 82914013) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
PubChem CID82914013
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCCC(CC)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C(C)C
InChIInChI=1S/C13H22ClN3O3S/c1-5-10(6-2)15-11(18)7-17-8-12(21(14,19)20)16-13(17)9(3)4/h8-10H,5-7H2,1-4H3,(H,15,18)
InChIKeyLRHZSFNTUCTGEC-UHFFFAOYSA-N
XLogP2.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82913411
1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82911046
1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82912732
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-propylimidazole-4-sulfonyl chloride
CID 82912093
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82911804
2-propan-2-yl-1-prop-2-enylimidazole-4-sulfonyl chloride
CID 82911278
1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82912926
1-but-3-enyl-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82912076
2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole-4-sulfonyl chloride
CID 64565943
1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911637
2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid
CID 81340289
1-[2-(2-methylpropoxy)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 106455703

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride (CID 82914013) is 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride is CCC(CC)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C(C)C.
What is the InChIKey of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
The InChIKey is LRHZSFNTUCTGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3S/c1-5-10(6-2)15-11(18)7-17-8-12(21(14,19)20)16-13(17)9(3)4/h8-10H,5-7H2,1-4H3,(H,15,18).
What are the key properties of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride?
1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride has a molecular weight of 335.86 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82914013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).