(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine

C12H17FN2O3S — CID 93217043

IUPAC(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3/t9-/m1/s1
InChIKeyNHLNXUIFLMRIPP-SECBINFHSA-N
MW288.34 g/mol
LogP0.95
Rot. Bonds3

About (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine

(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine (PubChem CID 93217043) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
PubChem CID93217043
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3/t9-/m1/s1
InChIKeyNHLNXUIFLMRIPP-SECBINFHSA-N
XLogP0.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
CID 120874368
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977752
2-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120583978
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 102977579

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine (CID 93217043) is (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine is COc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)cc1F.
What is the InChIKey of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine?
The InChIKey is NHLNXUIFLMRIPP-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine?
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine has a molecular weight of 288.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 93217043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).