5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine

C22H30N4O2S — CID 9024535

IUPAC5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccc(CN3CCCC3)cc2)nc1)N1CCCCC1
InChIInChI=1S/C22H30N4O2S/c27-29(28,26-14-2-1-3-15-26)21-10-11-22(24-17-21)23-16-19-6-8-20(9-7-19)18-25-12-4-5-13-25/h6-11,17H,1-5,12-16,18H2,(H,23,24)
InChIKeyRKJFXAJIQIGOTQ-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.46
Rot. Bonds7

About 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine

5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 9024535) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
PubChem CID9024535
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccc(CN3CCCC3)cc2)nc1)N1CCCCC1
InChIInChI=1S/C22H30N4O2S/c27-29(28,26-14-2-1-3-15-26)21-10-11-22(24-17-21)23-16-19-6-8-20(9-7-19)18-25-12-4-5-13-25/h6-11,17H,1-5,12-16,18H2,(H,23,24)
InChIKeyRKJFXAJIQIGOTQ-UHFFFAOYSA-N
XLogP3.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-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-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
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
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
CID 70304486
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine (CID 9024535) is 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine is O=S(=O)(c1ccc(NCc2ccc(CN3CCCC3)cc2)nc1)N1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is RKJFXAJIQIGOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c27-29(28,26-14-2-1-3-15-26)21-10-11-22(24-17-21)23-16-19-6-8-20(9-7-19)18-25-12-4-5-13-25/h6-11,17H,1-5,12-16,18H2,(H,23,24).
What are the key properties of 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 414.58 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 9024535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).