2-(3-methylbutylsulfonyl)propanamide;hydrochloride

C8H18ClNO3S — CID 87514095

IUPAC2-(3-methylbutylsulfonyl)propanamide;hydrochloride
SMILESCC(C)CCS(=O)(=O)C(C)C(N)=O.Cl
InChIInChI=1S/C8H17NO3S.ClH/c1-6(2)4-5-13(11,12)7(3)8(9)10;/h6-7H,4-5H2,1-3H3,(H2,9,10);1H
InChIKeySPUYMANYBAPEEM-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.74
Rot. Bonds5

About 2-(3-methylbutylsulfonyl)propanamide;hydrochloride

2-(3-methylbutylsulfonyl)propanamide;hydrochloride (PubChem CID 87514095) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methylbutylsulfonyl)propanamide;hydrochloride
PubChem CID87514095
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name2-(3-methylbutylsulfonyl)propanamide;hydrochloride
SMILESCC(C)CCS(=O)(=O)C(C)C(N)=O.Cl
InChIInChI=1S/C8H17NO3S.ClH/c1-6(2)4-5-13(11,12)7(3)8(9)10;/h6-7H,4-5H2,1-3H3,(H2,9,10);1H
InChIKeySPUYMANYBAPEEM-UHFFFAOYSA-N
XLogP0.74
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonyl)propanamide;hydrochloride?
The IUPAC name of 2-(3-methylbutylsulfonyl)propanamide;hydrochloride (CID 87514095) is 2-(3-methylbutylsulfonyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-methylbutylsulfonyl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-methylbutylsulfonyl)propanamide;hydrochloride is CC(C)CCS(=O)(=O)C(C)C(N)=O.Cl.
What is the InChIKey of 2-(3-methylbutylsulfonyl)propanamide;hydrochloride?
The InChIKey is SPUYMANYBAPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S.ClH/c1-6(2)4-5-13(11,12)7(3)8(9)10;/h6-7H,4-5H2,1-3H3,(H2,9,10);1H.
What are the key properties of 2-(3-methylbutylsulfonyl)propanamide;hydrochloride?
2-(3-methylbutylsulfonyl)propanamide;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonyl)propanamide;hydrochloride is sourced from PubChem (CID 87514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).