(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide

C15H23FN2O3S — CID 35311721

IUPAC(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-12-6-4-5-9-18(12)22(19,20)17(2)11-13-7-8-15(21-3)14(16)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m0/s1
InChIKeyAOVCZRKJHGNEAJ-LBPRGKRZSA-N
MW330.43 g/mol
LogP2.39
Rot. Bonds5

About (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide

(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide (PubChem CID 35311721) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
PubChem CID35311721
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-12-6-4-5-9-18(12)22(19,20)17(2)11-13-7-8-15(21-3)14(16)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m0/s1
InChIKeyAOVCZRKJHGNEAJ-LBPRGKRZSA-N
XLogP2.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide
CID 94812189
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129421973
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide
CID 47185640
N-(2-chloroethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexanamine
CID 63387062
(3-fluoro-4-methoxyphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 8581634
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide (CID 35311721) is (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide is COc1ccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C)cc1F.
What is the InChIKey of (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide?
The InChIKey is AOVCZRKJHGNEAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-12-6-4-5-9-18(12)22(19,20)17(2)11-13-7-8-15(21-3)14(16)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide?
(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide has a molecular weight of 330.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 35311721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).