(3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine

C11H17N3O2S — CID 97165359

IUPAC(3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine
SMILESN[C@H]1CCCN(S(=O)(=O)Cc2ccncc2)C1
InChIInChI=1S/C11H17N3O2S/c12-11-2-1-7-14(8-11)17(15,16)9-10-3-5-13-6-4-10/h3-6,11H,1-2,7-9,12H2/t11-/m0/s1
InChIKeyZVMSKKXIAGPKNS-NSHDSACASA-N
MW255.34 g/mol
LogP0.33
Rot. Bonds3

About (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine

(3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine (PubChem CID 97165359) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine
PubChem CID97165359
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine
SMILESN[C@H]1CCCN(S(=O)(=O)Cc2ccncc2)C1
InChIInChI=1S/C11H17N3O2S/c12-11-2-1-7-14(8-11)17(15,16)9-10-3-5-13-6-4-10/h3-6,11H,1-2,7-9,12H2/t11-/m0/s1
InChIKeyZVMSKKXIAGPKNS-NSHDSACASA-N
XLogP0.33
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine (CID 97165359) is (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine is N[C@H]1CCCN(S(=O)(=O)Cc2ccncc2)C1.
What is the InChIKey of (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine?
The InChIKey is ZVMSKKXIAGPKNS-NSHDSACASA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-11-2-1-7-14(8-11)17(15,16)9-10-3-5-13-6-4-10/h3-6,11H,1-2,7-9,12H2/t11-/m0/s1.
What are the key properties of (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine?
(3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine has a molecular weight of 255.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 97165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).