N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine

C20H27N3O2S — CID 5267894

IUPACN-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCCCCc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1
InChIInChI=1S/C20H27N3O2S/c1-2-3-7-17-8-10-18(11-9-17)22-20-13-12-19(16-21-20)26(24,25)23-14-5-4-6-15-23/h8-13,16H,2-7,14-15H2,1H3,(H,21,22)
InChIKeyCHAOIQMTYIMCAE-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.34
Rot. Bonds7

About N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine

N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 5267894) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID5267894
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCCCCc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1
InChIInChI=1S/C20H27N3O2S/c1-2-3-7-17-8-10-18(11-9-17)22-20-13-12-19(16-21-20)26(24,25)23-14-5-4-6-15-23/h8-13,16H,2-7,14-15H2,1H3,(H,21,22)
InChIKeyCHAOIQMTYIMCAE-UHFFFAOYSA-N
XLogP4.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine 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

N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
CID 55511360
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 5267894) is N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine is CCCCc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is CHAOIQMTYIMCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-2-3-7-17-8-10-18(11-9-17)22-20-13-12-19(16-21-20)26(24,25)23-14-5-4-6-15-23/h8-13,16H,2-7,14-15H2,1H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 373.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5267894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).