N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide

C13H21N3O4S — CID 91923090

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide
SMILESCN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1ccoc1
InChIInChI=1S/C13H21N3O4S/c1-15(2)6-11-7-16(21(3,18)19)8-12(11)14-13(17)10-4-5-20-9-10/h4-5,9,11-12H,6-8H2,1-3H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyGFLSVNQIHKKACC-VXGBXAGGSA-N
MW315.39 g/mol
LogP-0.17
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 91923090) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide
PubChem CID91923090
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide
SMILESCN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1ccoc1
InChIInChI=1S/C13H21N3O4S/c1-15(2)6-11-7-16(21(3,18)19)8-12(11)14-13(17)10-4-5-20-9-10/h4-5,9,11-12H,6-8H2,1-3H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyGFLSVNQIHKKACC-VXGBXAGGSA-N
XLogP-0.17
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-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-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide (CID 91923090) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide is CN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1ccoc1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is GFLSVNQIHKKACC-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15(2)6-11-7-16(21(3,18)19)8-12(11)14-13(17)10-4-5-20-9-10/h4-5,9,11-12H,6-8H2,1-3H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 315.39 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 91923090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).