N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine

C18H21N3O2S — CID 70304486

IUPACN-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
SMILESC=C1CCN(S(=O)(=O)c2ccc(NCc3ccccc3)nc2)CC1
InChIInChI=1S/C18H21N3O2S/c1-15-9-11-21(12-10-15)24(22,23)17-7-8-18(20-14-17)19-13-16-5-3-2-4-6-16/h2-8,14H,1,9-13H2,(H,19,20)
InChIKeyWIXWDRXNVWLSLU-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.03
Rot. Bonds5

About N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine

N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 70304486) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID70304486
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
SMILESC=C1CCN(S(=O)(=O)c2ccc(NCc3ccccc3)nc2)CC1
InChIInChI=1S/C18H21N3O2S/c1-15-9-11-21(12-10-15)24(22,23)17-7-8-18(20-14-17)19-13-16-5-3-2-4-6-16/h2-8,14H,1,9-13H2,(H,19,20)
InChIKeyWIXWDRXNVWLSLU-UHFFFAOYSA-N
XLogP3.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 30756951
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199
5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
CID 55627000

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine (CID 70304486) is N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine is C=C1CCN(S(=O)(=O)c2ccc(NCc3ccccc3)nc2)CC1.
What is the InChIKey of N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is WIXWDRXNVWLSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-15-9-11-21(12-10-15)24(22,23)17-7-8-18(20-14-17)19-13-16-5-3-2-4-6-16/h2-8,14H,1,9-13H2,(H,19,20).
What are the key properties of N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine?
N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 343.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 70304486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).