[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine

C14H16N2O2S2 — CID 43332876

IUPAC[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C14H16N2O2S2/c15-10-12-7-8-14(19-12)20(17,18)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8H,3,5,9-10,15H2
InChIKeyNVBCNKYWSMZKCK-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.35
Rot. Bonds3

About [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine

[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine (PubChem CID 43332876) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine
PubChem CID43332876
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C14H16N2O2S2/c15-10-12-7-8-14(19-12)20(17,18)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8H,3,5,9-10,15H2
InChIKeyNVBCNKYWSMZKCK-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
7-Fluoro-2-methyl-1-(2-thienylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2942513
1-propionyl-N-(thien-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3245271
N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738606
2-{[4-(2-Methylphenyl)piperazinyl]sulfonyl}thiophene
CID 6470203
N-(1-tosyl-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 18578080
4-methyl-N-(1-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 18578092
1-(Thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2051438
N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20962985
1-(2,3-Dimethyl-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 894111

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine (CID 43332876) is [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine is NCc1ccc(S(=O)(=O)N2CCCc3ccccc32)s1.
What is the InChIKey of [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine?
The InChIKey is NVBCNKYWSMZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c15-10-12-7-8-14(19-12)20(17,18)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8H,3,5,9-10,15H2.
What are the key properties of [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine?
[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine has a molecular weight of 308.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 43332876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).