methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate

C14H22N2O5S2 — CID 47034950

IUPACmethyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C14H22N2O5S2/c1-9(2)8-10(13(17)16(3)4)15-23(19,20)11-6-7-22-12(11)14(18)21-5/h6-7,9-10,15H,8H2,1-5H3
InChIKeyHGELCMVYCUDCKE-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.32
Rot. Bonds7

About methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 47034950) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate
PubChem CID47034950
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Namemethyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C14H22N2O5S2/c1-9(2)8-10(13(17)16(3)4)15-23(19,20)11-6-7-22-12(11)14(18)21-5/h6-7,9-10,15H,8H2,1-5H3
InChIKeyHGELCMVYCUDCKE-UHFFFAOYSA-N
XLogP1.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate (CID 47034950) is methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC(CC(C)C)C(=O)N(C)C.
What is the InChIKey of methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is HGELCMVYCUDCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-9(2)8-10(13(17)16(3)4)15-23(19,20)11-6-7-22-12(11)14(18)21-5/h6-7,9-10,15H,8H2,1-5H3.
What are the key properties of methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 47034950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).