N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine

C14H17N3O2S2 — CID 62143884

IUPACN-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
SMILESCNc1ccc2cc(S(=O)(=O)N3CCSCC3)ccc2n1
InChIInChI=1S/C14H17N3O2S2/c1-15-14-5-2-11-10-12(3-4-13(11)16-14)21(18,19)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyZULVDLKPADCUJB-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine

N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine (PubChem CID 62143884) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
PubChem CID62143884
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
SMILESCNc1ccc2cc(S(=O)(=O)N3CCSCC3)ccc2n1
InChIInChI=1S/C14H17N3O2S2/c1-15-14-5-2-11-10-12(3-4-13(11)16-14)21(18,19)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyZULVDLKPADCUJB-UHFFFAOYSA-N
XLogP2.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-thiomorpholin-4-ylsulfonylbenzoic acid
CID 29266576
N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283400
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 50806744
N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759685
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759655
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283426
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide
CID 62143741
N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759706
4-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62145270
4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine
CID 52821226

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine?
The IUPAC name of N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine (CID 62143884) is N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine.
What is the SMILES notation for N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine?
The canonical SMILES for N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine is CNc1ccc2cc(S(=O)(=O)N3CCSCC3)ccc2n1.
What is the InChIKey of N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine?
The InChIKey is ZULVDLKPADCUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-15-14-5-2-11-10-12(3-4-13(11)16-14)21(18,19)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine?
N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine has a molecular weight of 323.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine is sourced from PubChem (CID 62143884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).