N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine

C21H25N5O2S — CID 133309762

IUPACN'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine
SMILESO=S(=O)(c1cccnc1NCCNc1ccc2ccccc2n1)N1CCCCC1
InChIInChI=1S/C21H25N5O2S/c27-29(28,26-15-4-1-5-16-26)19-9-6-12-23-21(19)24-14-13-22-20-11-10-17-7-2-3-8-18(17)25-20/h2-3,6-12H,1,4-5,13-16H2,(H,22,25)(H,23,24)
InChIKeyKYCVFGYVYMZENG-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.33
Rot. Bonds7

About N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine

N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine (PubChem CID 133309762) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine
PubChem CID133309762
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine
SMILESO=S(=O)(c1cccnc1NCCNc1ccc2ccccc2n1)N1CCCCC1
InChIInChI=1S/C21H25N5O2S/c27-29(28,26-15-4-1-5-16-26)19-9-6-12-23-21(19)24-14-13-22-20-11-10-17-7-2-3-8-18(17)25-20/h2-3,6-12H,1,4-5,13-16H2,(H,22,25)(H,23,24)
InChIKeyKYCVFGYVYMZENG-UHFFFAOYSA-N
XLogP3.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine with MolForge

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Related Compounds

3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine
CID 115306733
2-[(3-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-N-propylacetamide
CID 133383079
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133390540
8-piperidin-1-ylsulfonylquinoline
CID 768759
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981
2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 122142659
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-2-ylpropanamide
CID 46655053
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386

Frequently Asked Questions

What is the IUPAC name of N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine (CID 133309762) is N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine is O=S(=O)(c1cccnc1NCCNc1ccc2ccccc2n1)N1CCCCC1.
What is the InChIKey of N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine?
The InChIKey is KYCVFGYVYMZENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c27-29(28,26-15-4-1-5-16-26)19-9-6-12-23-21(19)24-14-13-22-20-11-10-17-7-2-3-8-18(17)25-20/h2-3,6-12H,1,4-5,13-16H2,(H,22,25)(H,23,24).
What are the key properties of N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine?
N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine has a molecular weight of 411.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 133309762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).