N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine

C17H25N3O3S — CID 133390540

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1cccnc1NCCC1=CCOCC1)N1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-24(22,20-11-2-1-3-12-20)16-5-4-9-18-17(16)19-10-6-15-7-13-23-14-8-15/h4-5,7,9H,1-3,6,8,10-14H2,(H,18,19)
InChIKeyCGFNYQOTUPRRAW-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133390540) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133390540
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1cccnc1NCCC1=CCOCC1)N1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-24(22,20-11-2-1-3-12-20)16-5-4-9-18-17(16)19-10-6-15-7-13-23-14-8-15/h4-5,7,9H,1-3,6,8,10-14H2,(H,18,19)
InChIKeyCGFNYQOTUPRRAW-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine
CID 133309762
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981
2-[(3-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-N-propylacetamide
CID 133383079
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine
CID 115561614
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
3-(2-methylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62149023
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
CID 133333855

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine (CID 133390540) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1cccnc1NCCC1=CCOCC1)N1CCCCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is CGFNYQOTUPRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-24(22,20-11-2-1-3-12-20)16-5-4-9-18-17(16)19-10-6-15-7-13-23-14-8-15/h4-5,7,9H,1-3,6,8,10-14H2,(H,18,19).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 351.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133390540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).