methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate

C15H24N2O5S — CID 47053734

IUPACmethyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H24N2O5S/c1-12(15(18)21-3)10-16(2)11-13-6-7-14(22-13)23(19,20)17-8-4-5-9-17/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyYBTRJLGKYSSBFA-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.30
Rot. Bonds7

About methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate

methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate (PubChem CID 47053734) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
PubChem CID47053734
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Namemethyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H24N2O5S/c1-12(15(18)21-3)10-16(2)11-13-6-7-14(22-13)23(19,20)17-8-4-5-9-17/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyYBTRJLGKYSSBFA-UHFFFAOYSA-N
XLogP1.30
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate with MolForge

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
CID 55827224
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 55739537
propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate
CID 46484326
N-ethyl-1-(4-fluorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]ethanamine
CID 55838430
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
CID 97056140
(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 94178041
methyl (2S)-3-[benzyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]-2-methylpropanoate
CID 52909647
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 103504076

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate (CID 47053734) is methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate is COC(=O)C(C)CN(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate?
The InChIKey is YBTRJLGKYSSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-12(15(18)21-3)10-16(2)11-13-6-7-14(22-13)23(19,20)17-8-4-5-9-17/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate has a molecular weight of 344.43 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 47053734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).