2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide

C10H22N2O4S2 — CID 43419316

IUPAC2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(C)O
InChIInChI=1S/C10H22N2O4S2/c1-4-18(15,16)12-9(5-6-17-3)10(14)11-7-8(2)13/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyFUEUCBKKQXNWSK-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.46
Rot. Bonds9

About 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide

2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide (PubChem CID 43419316) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide
PubChem CID43419316
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(C)O
InChIInChI=1S/C10H22N2O4S2/c1-4-18(15,16)12-9(5-6-17-3)10(14)11-7-8(2)13/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyFUEUCBKKQXNWSK-UHFFFAOYSA-N
XLogP-0.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide (CID 43419316) is 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCC(C)O.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide?
The InChIKey is FUEUCBKKQXNWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-4-18(15,16)12-9(5-6-17-3)10(14)11-7-8(2)13/h8-9,12-13H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide?
2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide has a molecular weight of 298.43 g/mol, XLogP of -0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 43419316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).