N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide

C12H18N2O2S — CID 120944224

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CNCC2O)sc1C
InChIInChI=1S/C12H18N2O2S/c1-7-3-11(17-8(7)2)12(16)14-5-9-4-13-6-10(9)15/h3,9-10,13,15H,4-6H2,1-2H3,(H,14,16)
InChIKeyYHSYDRNOQBCJPB-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.68
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 120944224) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID120944224
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CNCC2O)sc1C
InChIInChI=1S/C12H18N2O2S/c1-7-3-11(17-8(7)2)12(16)14-5-9-4-13-6-10(9)15/h3,9-10,13,15H,4-6H2,1-2H3,(H,14,16)
InChIKeyYHSYDRNOQBCJPB-UHFFFAOYSA-N
XLogP0.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide (CID 120944224) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC2CNCC2O)sc1C.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YHSYDRNOQBCJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-3-11(17-8(7)2)12(16)14-5-9-4-13-6-10(9)15/h3,9-10,13,15H,4-6H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 120944224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).