[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine

C12H19N3O2S — CID 97165454

IUPAC[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1S(=O)(=O)Cc1ccncc1
InChIInChI=1S/C12H19N3O2S/c13-9-12-3-1-2-8-15(12)18(16,17)10-11-4-6-14-7-5-11/h4-7,12H,1-3,8-10,13H2/t12-/m0/s1
InChIKeyVQHFQJUNEPGHTN-LBPRGKRZSA-N
MW269.37 g/mol
LogP0.72
Rot. Bonds4

About [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine

[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 97165454) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
PubChem CID97165454
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1S(=O)(=O)Cc1ccncc1
InChIInChI=1S/C12H19N3O2S/c13-9-12-3-1-2-8-15(12)18(16,17)10-11-4-6-14-7-5-11/h4-7,12H,1-3,8-10,13H2/t12-/m0/s1
InChIKeyVQHFQJUNEPGHTN-LBPRGKRZSA-N
XLogP0.72
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
(3S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-amine
CID 97165359
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
3-[[2-(aminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115312346
4-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide
CID 61407453
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969134
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine (CID 97165454) is [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine is NC[C@@H]1CCCCN1S(=O)(=O)Cc1ccncc1.
What is the InChIKey of [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is VQHFQJUNEPGHTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-9-12-3-1-2-8-15(12)18(16,17)10-11-4-6-14-7-5-11/h4-7,12H,1-3,8-10,13H2/t12-/m0/s1.
What are the key properties of [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine?
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 97165454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).