2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide

C10H18N4O3S2 — CID 43540431

IUPAC2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H18N4O3S2/c1-3-19(16,17)14-9(4-5-18-2)10(15)13-8-6-11-12-7-8/h6-7,9,14H,3-5H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyKKVJAGYYHVLTNL-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.41
Rot. Bonds8

About 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide

2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 43540431) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID43540431
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H18N4O3S2/c1-3-19(16,17)14-9(4-5-18-2)10(15)13-8-6-11-12-7-8/h6-7,9,14H,3-5H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyKKVJAGYYHVLTNL-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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide (CID 43540431) is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide is CCS(=O)(=O)NC(CCSC)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is KKVJAGYYHVLTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-3-19(16,17)14-9(4-5-18-2)10(15)13-8-6-11-12-7-8/h6-7,9,14H,3-5H2,1-2H3,(H,11,12)(H,13,15).
What are the key properties of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide?
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide 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)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 43540431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).