ethyl 2-methyl-2-propylsulfinamoylpropanoate

C9H19NO3S — CID 59634327

IUPACethyl 2-methyl-2-propylsulfinamoylpropanoate
SMILESCCCNS(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C9H19NO3S/c1-5-7-10-14(12)9(3,4)8(11)13-6-2/h10H,5-7H2,1-4H3
InChIKeyGUDDWXBIAYUMSZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.99
Rot. Bonds6

About ethyl 2-methyl-2-propylsulfinamoylpropanoate

ethyl 2-methyl-2-propylsulfinamoylpropanoate (PubChem CID 59634327) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-propylsulfinamoylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-propylsulfinamoylpropanoate
PubChem CID59634327
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-methyl-2-propylsulfinamoylpropanoate
SMILESCCCNS(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C9H19NO3S/c1-5-7-10-14(12)9(3,4)8(11)13-6-2/h10H,5-7H2,1-4H3
InChIKeyGUDDWXBIAYUMSZ-UHFFFAOYSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethylsulfinamoyl-2-methylpropanoate
CID 59634288
ethyl 2-methyl-2-sulfinooxypropanoate
CID 118684426
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
ethyl 3-methyl-3-(propylamino)butanoate
CID 65236098
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-(benzenesulfinyl)-2-methylpropanoate
CID 14906951
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
CID 10751477
ethyl 3-methyl-3-(propylamino)pentanoate
CID 65235785
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2-(2-hydroxyethylamino)-2-methylpropanoate
CID 82358602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-propylsulfinamoylpropanoate?
The IUPAC name of ethyl 2-methyl-2-propylsulfinamoylpropanoate (CID 59634327) is ethyl 2-methyl-2-propylsulfinamoylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-propylsulfinamoylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-propylsulfinamoylpropanoate is CCCNS(=O)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-propylsulfinamoylpropanoate?
The InChIKey is GUDDWXBIAYUMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-5-7-10-14(12)9(3,4)8(11)13-6-2/h10H,5-7H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-propylsulfinamoylpropanoate?
ethyl 2-methyl-2-propylsulfinamoylpropanoate has a molecular weight of 221.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-propylsulfinamoylpropanoate is sourced from PubChem (CID 59634327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).