methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide

C10H21NO3S — CID 159896878

IUPACmethane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide
SMILESC.C=CC(=O)N(C)C(C)(C)CS(C)(=O)=O
InChIInChI=1S/C9H17NO3S.CH4/c1-6-8(11)10(4)9(2,3)7-14(5,12)13;/h6H,1,7H2,2-5H3;1H4
InChIKeyNVLMEJMNTOIJLK-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.09
Rot. Bonds4

About methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide

methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide (PubChem CID 159896878) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Namemethane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide
PubChem CID159896878
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Namemethane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide
SMILESC.C=CC(=O)N(C)C(C)(C)CS(C)(=O)=O
InChIInChI=1S/C9H17NO3S.CH4/c1-6-8(11)10(4)9(2,3)7-14(5,12)13;/h6H,1,7H2,2-5H3;1H4
InChIKeyNVLMEJMNTOIJLK-UHFFFAOYSA-N
XLogP1.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid
CID 175104689
azane;1-[methyl(prop-2-enoyl)amino]propane-2-sulfonic acid
CID 87438515
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
N-ethylsulfonyl-N-methylprop-2-enamide
CID 148776379
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
2-[methyl(prop-2-enoyl)amino]propane-1-sulfonic acid
CID 23496741
N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 166415254
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
2,2-dimethyl-3-oxopent-4-ene-1-sulfonic acid
CID 18324556

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide?
The IUPAC name of methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide (CID 159896878) is methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide?
The canonical SMILES for methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide is C.C=CC(=O)N(C)C(C)(C)CS(C)(=O)=O.
What is the InChIKey of methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide?
The InChIKey is NVLMEJMNTOIJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S.CH4/c1-6-8(11)10(4)9(2,3)7-14(5,12)13;/h6H,1,7H2,2-5H3;1H4.
What are the key properties of methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide?
methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide has a molecular weight of 235.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 159896878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).