N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine

C16H21N3O2S — CID 119980282

IUPACN-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H21N3O2S/c1-17-15-7-10-19(11-8-15)22(20,21)12-14-5-2-4-13-6-3-9-18-16(13)14/h2-6,9,15,17H,7-8,10-12H2,1H3
InChIKeyBJZWVYFCHCCDCM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.75
Rot. Bonds4

About N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine

N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine (PubChem CID 119980282) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
PubChem CID119980282
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H21N3O2S/c1-17-15-7-10-19(11-8-15)22(20,21)12-14-5-2-4-13-6-3-9-18-16(13)14/h2-6,9,15,17H,7-8,10-12H2,1H3
InChIKeyBJZWVYFCHCCDCM-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine (CID 119980282) is N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine is CNC1CCN(S(=O)(=O)Cc2cccc3cccnc23)CC1.
What is the InChIKey of N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine?
The InChIKey is BJZWVYFCHCCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-17-15-7-10-19(11-8-15)22(20,21)12-14-5-2-4-13-6-3-9-18-16(13)14/h2-6,9,15,17H,7-8,10-12H2,1H3.
What are the key properties of N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine?
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine has a molecular weight of 319.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 119980282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).