N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C14H18N2O2S — CID 79217681

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2S1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C14H18N2O2S/c1-16(10-7-15-8-11(10)17)14(18)13-6-9-4-2-3-5-12(9)19-13/h2-5,10-11,13,15,17H,6-8H2,1H3/t10-,11-,13?/m1/s1
InChIKeyBUIDCPFTIPVFCN-KKPNGEORSA-N
MW278.38 g/mol
LogP0.49
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 79217681) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID79217681
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2S1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C14H18N2O2S/c1-16(10-7-15-8-11(10)17)14(18)13-6-9-4-2-3-5-12(9)19-13/h2-5,10-11,13,15,17H,6-8H2,1H3/t10-,11-,13?/m1/s1
InChIKeyBUIDCPFTIPVFCN-KKPNGEORSA-N
XLogP0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 79217681) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is CN(C(=O)C1Cc2ccccc2S1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is BUIDCPFTIPVFCN-KKPNGEORSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16(10-7-15-8-11(10)17)14(18)13-6-9-4-2-3-5-12(9)19-13/h2-5,10-11,13,15,17H,6-8H2,1H3/t10-,11-,13?/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79217681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).