N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride

C11H25ClN2O3S — CID 119786350

IUPACN-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)CCCNC.Cl
InChIInChI=1S/C11H24N2O3S.ClH/c1-5-17(15,16)9-10(2)13(4)11(14)7-6-8-12-3;/h10,12H,5-9H2,1-4H3;1H
InChIKeyMRURORHCMUHMKV-UHFFFAOYSA-N
MW300.85 g/mol
LogP0.69
Rot. Bonds8

About N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride

N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride (PubChem CID 119786350) has the molecular formula C11H25ClN2O3S and a molecular weight of 300.85 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
PubChem CID119786350
Molecular FormulaC11H25ClN2O3S
Molecular Weight300.85 g/mol
Exact Mass300.13
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)CCCNC.Cl
InChIInChI=1S/C11H24N2O3S.ClH/c1-5-17(15,16)9-10(2)13(4)11(14)7-6-8-12-3;/h10,12H,5-9H2,1-4H3;1H
InChIKeyMRURORHCMUHMKV-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119817465
N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119786374
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-2-(methylamino)acetamide;hydrochloride
CID 119786201
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide
CID 171836170
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
CID 60964013
N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
CID 60841146

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride (CID 119786350) is N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride is CCS(=O)(=O)CC(C)N(C)C(=O)CCCNC.Cl.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
The InChIKey is MRURORHCMUHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S.ClH/c1-5-17(15,16)9-10(2)13(4)11(14)7-6-8-12-3;/h10,12H,5-9H2,1-4H3;1H.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride?
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119786350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).