2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide

C10H18N4O3S2 — CID 55213744

IUPAC2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H18N4O3S2/c1-3-19(16,17)14-8(4-7-18-2)9(15)13-10-11-5-6-12-10/h5-6,8,14H,3-4,7H2,1-2H3,(H2,11,12,13,15)
InChIKeyXVZRTILZXJUART-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.41
Rot. Bonds8

About 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide

2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide (PubChem CID 55213744) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide
PubChem CID55213744
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H18N4O3S2/c1-3-19(16,17)14-8(4-7-18-2)9(15)13-10-11-5-6-12-10/h5-6,8,14H,3-4,7H2,1-2H3,(H2,11,12,13,15)
InChIKeyXVZRTILZXJUART-UHFFFAOYSA-N
XLogP0.41
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 31759124
N-cyano-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 79194141
N-(2,3-dihydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 66178120
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103867126
2-(ethylsulfonylamino)-4-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]butanamide
CID 56540396
(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide
CID 92845467
2-(ethylsulfonylamino)-4-methylsulfanyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
CID 56569468
N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]ethanesulfonamide
CID 60717358
2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide
CID 55905230

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide (CID 55213744) is 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is XVZRTILZXJUART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-3-19(16,17)14-8(4-7-18-2)9(15)13-10-11-5-6-12-10/h5-6,8,14H,3-4,7H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide?
2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 55213744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).