2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide

C10H22N2O4S2 — CID 43419265

IUPAC2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCCCO
InChIInChI=1S/C10H22N2O4S2/c1-3-18(15,16)12-9(5-8-17-2)10(14)11-6-4-7-13/h9,12-13H,3-8H2,1-2H3,(H,11,14)
InChIKeyNAVHGFYRCDHTTG-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.45
Rot. Bonds10

About 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide

2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide (PubChem CID 43419265) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide
PubChem CID43419265
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCCCO
InChIInChI=1S/C10H22N2O4S2/c1-3-18(15,16)12-9(5-8-17-2)10(14)11-6-4-7-13/h9,12-13H,3-8H2,1-2H3,(H,11,14)
InChIKeyNAVHGFYRCDHTTG-UHFFFAOYSA-N
XLogP-0.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide (CID 43419265) is 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCCCO.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide?
The InChIKey is NAVHGFYRCDHTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-3-18(15,16)12-9(5-8-17-2)10(14)11-6-4-7-13/h9,12-13H,3-8H2,1-2H3,(H,11,14).
What are the key properties of 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide?
2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide has a molecular weight of 298.43 g/mol, XLogP of -0.45, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 43419265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).