(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine

C11H17N3O2S — CID 97163020

IUPAC(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine
SMILESCc1ccnc(S(=O)(=O)N2CCC[C@@H](N)C2)c1
InChIInChI=1S/C11H17N3O2S/c1-9-4-5-13-11(7-9)17(15,16)14-6-2-3-10(12)8-14/h4-5,7,10H,2-3,6,8,12H2,1H3/t10-/m1/s1
InChIKeyXASUONMJXDKAGX-SNVBAGLBSA-N
MW255.34 g/mol
LogP0.50
Rot. Bonds2

About (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine

(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine (PubChem CID 97163020) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine
PubChem CID97163020
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine
SMILESCc1ccnc(S(=O)(=O)N2CCC[C@@H](N)C2)c1
InChIInChI=1S/C11H17N3O2S/c1-9-4-5-13-11(7-9)17(15,16)14-6-2-3-10(12)8-14/h4-5,7,10H,2-3,6,8,12H2,1H3/t10-/m1/s1
InChIKeyXASUONMJXDKAGX-SNVBAGLBSA-N
XLogP0.50
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638895
1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
CID 62065706
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959471

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine (CID 97163020) is (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine is Cc1ccnc(S(=O)(=O)N2CCC[C@@H](N)C2)c1.
What is the InChIKey of (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine?
The InChIKey is XASUONMJXDKAGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-4-5-13-11(7-9)17(15,16)14-6-2-3-10(12)8-14/h4-5,7,10H,2-3,6,8,12H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine?
(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine has a molecular weight of 255.34 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine is sourced from PubChem (CID 97163020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).