5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

C14H24N2O3S — CID 94139145

IUPAC5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C1
InChIInChI=1S/C14H24N2O3S/c1-11-7-12(2)9-16(8-11)10-13-5-6-14(19-13)20(17,18)15(3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+
InChIKeyURLXUAYGKYDELI-TXEJJXNPSA-N
MW300.42 g/mol
LogP2.01
Rot. Bonds4

About 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 94139145) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID94139145
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C1
InChIInChI=1S/C14H24N2O3S/c1-11-7-12(2)9-16(8-11)10-13-5-6-14(19-13)20(17,18)15(3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+
InChIKeyURLXUAYGKYDELI-TXEJJXNPSA-N
XLogP2.01
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 110899350
N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide
CID 136563223
5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165
5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55828293
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 111111607
N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 94139160
5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 86776822
5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55853518
5-[[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 95787517
5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 47056598
N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
CID 106324582
N,N-dimethyl-5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-sulfonamide
CID 53498937

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 94139145) is 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is C[C@@H]1C[C@H](C)CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C1.
What is the InChIKey of 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is URLXUAYGKYDELI-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11-7-12(2)9-16(8-11)10-13-5-6-14(19-13)20(17,18)15(3)4/h5-6,11-12H,7-10H2,1-4H3/t11-,12+.
What are the key properties of 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 94139145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).