(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide

C16H26N2O3S — CID 51936643

IUPAC(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)C1
InChIInChI=1S/C16H26N2O3S/c1-12-5-4-8-18(10-12)22(19,20)17(3)11-14-6-7-16(21-14)15-9-13(15)2/h6-7,12-13,15H,4-5,8-11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyNXKYOLIXMJVIPA-VNHYZAJKSA-N
MW326.46 g/mol
LogP2.81
Rot. Bonds5

About (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide

(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide (PubChem CID 51936643) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
PubChem CID51936643
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)C1
InChIInChI=1S/C16H26N2O3S/c1-12-5-4-8-18(10-12)22(19,20)17(3)11-14-6-7-16(21-14)15-9-13(15)2/h6-7,12-13,15H,4-5,8-11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyNXKYOLIXMJVIPA-VNHYZAJKSA-N
XLogP2.81
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide with MolForge

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Related Compounds

ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate
CID 124816113
3-N-methyl-3-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-1,3-dicarboxamide
CID 51074422
(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 124815201
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid
CID 61455218
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 47015119
2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
CID 30142898
(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 100836381
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 35431927

Frequently Asked Questions

What is the IUPAC name of (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide (CID 51936643) is (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)C1.
What is the InChIKey of (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is NXKYOLIXMJVIPA-VNHYZAJKSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-5-4-8-18(10-12)22(19,20)17(3)11-14-6-7-16(21-14)15-9-13(15)2/h6-7,12-13,15H,4-5,8-11H2,1-3H3/t12-,13+,15-/m1/s1.
What are the key properties of (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide?
(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 51936643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).