2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine

C14H18N2O2S — CID 81196719

IUPAC2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-11(8-15)9-19(17,18)10-12-6-7-16-14-5-3-2-4-13(12)14/h2-7,11H,8-10,15H2,1H3
InChIKeyFOTQBKVSJGZFPN-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine

2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine (PubChem CID 81196719) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine
PubChem CID81196719
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-11(8-15)9-19(17,18)10-12-6-7-16-14-5-3-2-4-13(12)14/h2-7,11H,8-10,15H2,1H3
InChIKeyFOTQBKVSJGZFPN-UHFFFAOYSA-N
XLogP1.74
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine (CID 81196719) is 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine?
The InChIKey is FOTQBKVSJGZFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11(8-15)9-19(17,18)10-12-6-7-16-14-5-3-2-4-13(12)14/h2-7,11H,8-10,15H2,1H3.
What are the key properties of 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine?
2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine has a molecular weight of 278.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(quinolin-4-ylmethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81196719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).