(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine

C10H14FN3O2S — CID 170598969

IUPAC(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccccn2)C[C@H]1F
InChIInChI=1S/C10H14FN3O2S/c11-8-7-14(6-4-9(8)12)17(15,16)10-3-1-2-5-13-10/h1-3,5,8-9H,4,6-7,12H2/t8-,9-/m1/s1
InChIKeyLMIZGMHQBFBCPN-RKDXNWHRSA-N
MW259.31 g/mol
LogP0.14
Rot. Bonds2

About (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine

(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine (PubChem CID 170598969) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
PubChem CID170598969
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccccn2)C[C@H]1F
InChIInChI=1S/C10H14FN3O2S/c11-8-7-14(6-4-9(8)12)17(15,16)10-3-1-2-5-13-10/h1-3,5,8-9H,4,6-7,12H2/t8-,9-/m1/s1
InChIKeyLMIZGMHQBFBCPN-RKDXNWHRSA-N
XLogP0.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
5-Aminopyridine-2-sulfonamide
CID 22313850
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079
Pyridine sulfonamide
CID 12000791
Pyridine-3-sulfonamide
CID 232710
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
N-Pyridin-4-ylmethyl-benzenesulfonamide
CID 818674

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine (CID 170598969) is (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine is N[C@@H]1CCN(S(=O)(=O)c2ccccn2)C[C@H]1F.
What is the InChIKey of (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine?
The InChIKey is LMIZGMHQBFBCPN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c11-8-7-14(6-4-9(8)12)17(15,16)10-3-1-2-5-13-10/h1-3,5,8-9H,4,6-7,12H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine?
(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 170598969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).