3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride

C10H23ClN2O3S — CID 119325085

IUPAC3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride
SMILESCCN(C(=O)CCN)C(C)CS(=O)(=O)CC.Cl
InChIInChI=1S/C10H22N2O3S.ClH/c1-4-12(10(13)6-7-11)9(3)8-16(14,15)5-2;/h9H,4-8,11H2,1-3H3;1H
InChIKeyJSMKURCBLJIZFR-UHFFFAOYSA-N
MW286.82 g/mol
LogP0.43
Rot. Bonds7

About 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride

3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride (PubChem CID 119325085) has the molecular formula C10H23ClN2O3S and a molecular weight of 286.82 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride
PubChem CID119325085
Molecular FormulaC10H23ClN2O3S
Molecular Weight286.82 g/mol
Exact Mass286.11
IUPAC Name3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride
SMILESCCN(C(=O)CCN)C(C)CS(=O)(=O)CC.Cl
InChIInChI=1S/C10H22N2O3S.ClH/c1-4-12(10(13)6-7-11)9(3)8-16(14,15)5-2;/h9H,4-8,11H2,1-3H3;1H
InChIKeyJSMKURCBLJIZFR-UHFFFAOYSA-N
XLogP0.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-propan-2-yl-N-propylpropanamide
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CID 95322200
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
3-amino-N,N'-diethyl-N'-propan-2-ylpropanehydrazide
CID 87500992
3-[4-aminobutanoyl(ethyl)amino]butanoic acid
CID 62826769
N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride (CID 119325085) is 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride is CCN(C(=O)CCN)C(C)CS(=O)(=O)CC.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride?
The InChIKey is JSMKURCBLJIZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S.ClH/c1-4-12(10(13)6-7-11)9(3)8-16(14,15)5-2;/h9H,4-8,11H2,1-3H3;1H.
What are the key properties of 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride?
3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride has a molecular weight of 286.82 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119325085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).