methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate

C15H26N4O5S — CID 72931528

IUPACmethyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)n1
InChIInChI=1S/C15H26N4O5S/c1-10(2)11-6-19(7-12(11)17-25(21,22)18(3)4)8-14-16-13(9-24-14)15(20)23-5/h9-12,17H,6-8H2,1-5H3/t11-,12+/m0/s1
InChIKeyKVERDBAYWZTQHZ-NWDGAFQWSA-N
MW374.46 g/mol
LogP0.31
Rot. Bonds7

About methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 72931528) has the molecular formula C15H26N4O5S and a molecular weight of 374.46 g/mol. Its IUPAC name is methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
PubChem CID72931528
Molecular FormulaC15H26N4O5S
Molecular Weight374.46 g/mol
Exact Mass374.16
IUPAC Namemethyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)n1
InChIInChI=1S/C15H26N4O5S/c1-10(2)11-6-19(7-12(11)17-25(21,22)18(3)4)8-14-16-13(9-24-14)15(20)23-5/h9-12,17H,6-8H2,1-5H3/t11-,12+/m0/s1
InChIKeyKVERDBAYWZTQHZ-NWDGAFQWSA-N
XLogP0.31
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate (CID 72931528) is methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)n1.
What is the InChIKey of methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is KVERDBAYWZTQHZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H26N4O5S/c1-10(2)11-6-19(7-12(11)17-25(21,22)18(3)4)8-14-16-13(9-24-14)15(20)23-5/h9-12,17H,6-8H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 72931528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).