2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine

C14H18N2OS — CID 81189362

IUPAC2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine
SMILESCC(C)(N)CS(=O)Cc1cccc2cccnc12
InChIInChI=1S/C14H18N2OS/c1-14(2,15)10-18(17)9-12-6-3-5-11-7-4-8-16-13(11)12/h3-8H,9-10,15H2,1-2H3
InChIKeyMHULTZDQPDQDKQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine

2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine (PubChem CID 81189362) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine
PubChem CID81189362
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine
SMILESCC(C)(N)CS(=O)Cc1cccc2cccnc12
InChIInChI=1S/C14H18N2OS/c1-14(2,15)10-18(17)9-12-6-3-5-11-7-4-8-16-13(11)12/h3-8H,9-10,15H2,1-2H3
InChIKeyMHULTZDQPDQDKQ-UHFFFAOYSA-N
XLogP2.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-(quinolin-8-ylmethylsulfinyl)butan-2-amine
CID 81193448
3-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 60983236
2-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 54883641
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole
CID 167884901
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
2-methyl-2-(quinolin-8-ylmethoxy)butan-1-amine
CID 65053179
tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate
CID 103522381
1-quinolin-8-ylpropan-2-amine
CID 63968867
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine (CID 81189362) is 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine is CC(C)(N)CS(=O)Cc1cccc2cccnc12.
What is the InChIKey of 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine?
The InChIKey is MHULTZDQPDQDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,15)10-18(17)9-12-6-3-5-11-7-4-8-16-13(11)12/h3-8H,9-10,15H2,1-2H3.
What are the key properties of 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine?
2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(quinolin-8-ylmethylsulfinyl)propan-2-amine is sourced from PubChem (CID 81189362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).