2-ethyl-N-methylsulfonylpentanamide;hydrochloride

C8H18ClNO3S — CID 142463434

IUPAC2-ethyl-N-methylsulfonylpentanamide;hydrochloride
SMILESCCCC(CC)C(=O)NS(C)(=O)=O.Cl
InChIInChI=1S/C8H17NO3S.ClH/c1-4-6-7(5-2)8(10)9-13(3,11)12;/h7H,4-6H2,1-3H3,(H,9,10);1H
InChIKeyNOBVHGYRIJQHJO-UHFFFAOYSA-N
MW243.76 g/mol
LogP1.31
Rot. Bonds5

About 2-ethyl-N-methylsulfonylpentanamide;hydrochloride

2-ethyl-N-methylsulfonylpentanamide;hydrochloride (PubChem CID 142463434) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-ethyl-N-methylsulfonylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-methylsulfonylpentanamide;hydrochloride
PubChem CID142463434
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name2-ethyl-N-methylsulfonylpentanamide;hydrochloride
SMILESCCCC(CC)C(=O)NS(C)(=O)=O.Cl
InChIInChI=1S/C8H17NO3S.ClH/c1-4-6-7(5-2)8(10)9-13(3,11)12;/h7H,4-6H2,1-3H3,(H,9,10);1H
InChIKeyNOBVHGYRIJQHJO-UHFFFAOYSA-N
XLogP1.31
TPSA63.24 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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-methylsulfonylbutanamide
CID 18336288
2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
2-amino-N-methylsulfonylbutanamide
CID 103287489
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734
methane;(Z)-N-methylsulfonyl-2-[(Z)-octadec-9-enyl]icos-11-enamide
CID 167680012
2-ethylpentanamide;hydrochloride
CID 121334657
2-ethyl-N-undecylpentanamide
CID 160695439
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
N-[(E)-but-2-enyl]-2-ethylpentanamide
CID 178010270
2-ethylpentanethioic S-acid
CID 18377889

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylsulfonylpentanamide;hydrochloride?
The IUPAC name of 2-ethyl-N-methylsulfonylpentanamide;hydrochloride (CID 142463434) is 2-ethyl-N-methylsulfonylpentanamide;hydrochloride.
What is the SMILES notation for 2-ethyl-N-methylsulfonylpentanamide;hydrochloride?
The canonical SMILES for 2-ethyl-N-methylsulfonylpentanamide;hydrochloride is CCCC(CC)C(=O)NS(C)(=O)=O.Cl.
What is the InChIKey of 2-ethyl-N-methylsulfonylpentanamide;hydrochloride?
The InChIKey is NOBVHGYRIJQHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S.ClH/c1-4-6-7(5-2)8(10)9-13(3,11)12;/h7H,4-6H2,1-3H3,(H,9,10);1H.
What are the key properties of 2-ethyl-N-methylsulfonylpentanamide;hydrochloride?
2-ethyl-N-methylsulfonylpentanamide;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylsulfonylpentanamide;hydrochloride is sourced from PubChem (CID 142463434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).