N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide

C19H25N3O2S — CID 143288706

IUPACN-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(S(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O2S/c1-14(2)12-21-19(23)16-8-5-11-22(13-16)25(24)17-9-3-6-15-7-4-10-20-18(15)17/h3-4,6-7,9-10,14,16H,5,8,11-13H2,1-2H3,(H,21,23)
InChIKeyBCTLXVOAKNDJMV-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.74
Rot. Bonds5

About N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide

N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide (PubChem CID 143288706) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide
PubChem CID143288706
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(S(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O2S/c1-14(2)12-21-19(23)16-8-5-11-22(13-16)25(24)17-9-3-6-15-7-4-10-20-18(15)17/h3-4,6-7,9-10,14,16H,5,8,11-13H2,1-2H3,(H,21,23)
InChIKeyBCTLXVOAKNDJMV-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide (CID 143288706) is N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(S(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
The InChIKey is BCTLXVOAKNDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(2)12-21-19(23)16-8-5-11-22(13-16)25(24)17-9-3-6-15-7-4-10-20-18(15)17/h3-4,6-7,9-10,14,16H,5,8,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide?
N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-quinolin-8-ylsulfinylpiperidine-3-carboxamide is sourced from PubChem (CID 143288706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).