methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate

C14H21N3O3S — CID 103421714

IUPACmethyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N2CCC(C)(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-14(2)4-6-17(7-5-14)12-8(13(19)20-3)9(15)10(21-12)11(16)18/h4-7,15H2,1-3H3,(H2,16,18)
InChIKeyHMVNAGZQOCQFRF-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.84
Rot. Bonds3

About methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate

methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate (PubChem CID 103421714) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
PubChem CID103421714
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Namemethyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N2CCC(C)(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-14(2)4-6-17(7-5-14)12-8(13(19)20-3)9(15)10(21-12)11(16)18/h4-7,15H2,1-3H3,(H2,16,18)
InChIKeyHMVNAGZQOCQFRF-UHFFFAOYSA-N
XLogP1.84
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate (CID 103421714) is methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate is COC(=O)c1c(N2CCC(C)(C)CC2)sc(C(N)=O)c1N.
What is the InChIKey of methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate?
The InChIKey is HMVNAGZQOCQFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2)4-6-17(7-5-14)12-8(13(19)20-3)9(15)10(21-12)11(16)18/h4-7,15H2,1-3H3,(H2,16,18).
What are the key properties of methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate?
methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate is sourced from PubChem (CID 103421714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).