N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine

C20H24FN3O2S — CID 133446329

IUPACN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCCc3ccc(F)cc32)nc1)N1CCCCC1
InChIInChI=1S/C20H24FN3O2S/c21-16-8-7-15-5-4-6-19(18(15)13-16)23-20-10-9-17(14-22-20)27(25,26)24-11-2-1-3-12-24/h7-10,13-14,19H,1-6,11-12H2,(H,22,23)
InChIKeyPKHDLDNIEPSRAI-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.88
Rot. Bonds4

About N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine

N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133446329) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133446329
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCCc3ccc(F)cc32)nc1)N1CCCCC1
InChIInChI=1S/C20H24FN3O2S/c21-16-8-7-15-5-4-6-19(18(15)13-16)23-20-10-9-17(14-22-20)27(25,26)24-11-2-1-3-12-24/h7-10,13-14,19H,1-6,11-12H2,(H,22,23)
InChIKeyPKHDLDNIEPSRAI-UHFFFAOYSA-N
XLogP3.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 39338201
5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 133446372
N-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281602
N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 94724995
5-piperidin-1-ylsulfonyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
CID 127767110
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 133446329) is N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NC2CCCc3ccc(F)cc32)nc1)N1CCCCC1.
What is the InChIKey of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is PKHDLDNIEPSRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-16-8-7-15-5-4-6-19(18(15)13-16)23-20-10-9-17(14-22-20)27(25,26)24-11-2-1-3-12-24/h7-10,13-14,19H,1-6,11-12H2,(H,22,23).
What are the key properties of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 389.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133446329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).