3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide

C19H23N5OS — CID 143915550

IUPAC3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide
SMILESNS(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5OS/c20-26(25)18-5-1-3-14(9-18)12-24-8-2-4-17(13-24)22-16-6-7-19-15(10-16)11-21-23-19/h1,3,5-7,9-11,17,22H,2,4,8,12-13,20H2,(H,21,23)
InChIKeySDXSYIQLZKFAEV-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.62
Rot. Bonds5

About 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide

3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide (PubChem CID 143915550) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide.

Molecular Properties

Compound Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide
PubChem CID143915550
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide
SMILESNS(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5OS/c20-26(25)18-5-1-3-14(9-18)12-24-8-2-4-17(13-24)22-16-6-7-19-15(10-16)11-21-23-19/h1,3,5-7,9-11,17,22H,2,4,8,12-13,20H2,(H,21,23)
InChIKeySDXSYIQLZKFAEV-UHFFFAOYSA-N
XLogP2.62
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 58022548
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 25010600
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfinamide
CID 143919543
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide?
The IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide (CID 143915550) is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide.
What is the SMILES notation for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide?
The canonical SMILES for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide is NS(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide?
The InChIKey is SDXSYIQLZKFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c20-26(25)18-5-1-3-14(9-18)12-24-8-2-4-17(13-24)22-16-6-7-19-15(10-16)11-21-23-19/h1,3,5-7,9-11,17,22H,2,4,8,12-13,20H2,(H,21,23).
What are the key properties of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide?
3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide has a molecular weight of 369.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide is sourced from PubChem (CID 143915550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).