2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine

C14H18N2O2S — CID 105020159

IUPAC2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine
SMILESCC(C)(C(N)c1cccc2ncccc12)S(C)(=O)=O
InChIInChI=1S/C14H18N2O2S/c1-14(2,19(3,17)18)13(15)11-6-4-8-12-10(11)7-5-9-16-12/h4-9,13H,15H2,1-3H3
InChIKeyIPPYOUHKCXAOPU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine

2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine (PubChem CID 105020159) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine
PubChem CID105020159
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine
SMILESCC(C)(C(N)c1cccc2ncccc12)S(C)(=O)=O
InChIInChI=1S/C14H18N2O2S/c1-14(2,19(3,17)18)13(15)11-6-4-8-12-10(11)7-5-9-16-12/h4-9,13H,15H2,1-3H3
InChIKeyIPPYOUHKCXAOPU-UHFFFAOYSA-N
XLogP2.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
(1R)-1-quinolin-5-ylethanamine
CID 55277010
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine
CID 105152572
1-(2,3-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115850415
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
CID 158967293
CID 158967293
N',N'-dimethyl-1-quinolin-5-ylpropane-1,3-diamine
CID 113291189
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
5-(1-iodoethyl)quinoline
CID 130224458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine (CID 105020159) is 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine is CC(C)(C(N)c1cccc2ncccc12)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine?
The InChIKey is IPPYOUHKCXAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2,19(3,17)18)13(15)11-6-4-8-12-10(11)7-5-9-16-12/h4-9,13H,15H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine?
2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine has a molecular weight of 278.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine is sourced from PubChem (CID 105020159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).