4-(quinolin-4-ylmethylsulfinyl)butan-2-amine

C14H18N2OS — CID 81194007

IUPAC4-(quinolin-4-ylmethylsulfinyl)butan-2-amine
SMILESCC(N)CCS(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-11(15)7-9-18(17)10-12-6-8-16-14-5-3-2-4-13(12)14/h2-6,8,11H,7,9-10,15H2,1H3
InChIKeyXVFFZTNIOAYNGD-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.22
Rot. Bonds5

About 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine

4-(quinolin-4-ylmethylsulfinyl)butan-2-amine (PubChem CID 81194007) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name4-(quinolin-4-ylmethylsulfinyl)butan-2-amine
PubChem CID81194007
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-(quinolin-4-ylmethylsulfinyl)butan-2-amine
SMILESCC(N)CCS(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-11(15)7-9-18(17)10-12-6-8-16-14-5-3-2-4-13(12)14/h2-6,8,11H,7,9-10,15H2,1H3
InChIKeyXVFFZTNIOAYNGD-UHFFFAOYSA-N
XLogP2.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine?
The IUPAC name of 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine (CID 81194007) is 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine.
What is the SMILES notation for 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine?
The canonical SMILES for 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine is CC(N)CCS(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine?
The InChIKey is XVFFZTNIOAYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(15)7-9-18(17)10-12-6-8-16-14-5-3-2-4-13(12)14/h2-6,8,11H,7,9-10,15H2,1H3.
What are the key properties of 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine?
4-(quinolin-4-ylmethylsulfinyl)butan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-4-ylmethylsulfinyl)butan-2-amine is sourced from PubChem (CID 81194007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).