N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C15H18N2O2S2 — CID 62056573

IUPACN-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3)s1
InChIInChI=1S/C15H18N2O2S2/c1-11-4-5-13(20-11)10-17-21(18,19)14-6-7-15-12(9-14)3-2-8-16-15/h4-7,9,16-17H,2-3,8,10H2,1H3
InChIKeyLWACZDKTDBTHMZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.89
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 62056573) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID62056573
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3)s1
InChIInChI=1S/C15H18N2O2S2/c1-11-4-5-13(20-11)10-17-21(18,19)14-6-7-15-12(9-14)3-2-8-16-15/h4-7,9,16-17H,2-3,8,10H2,1H3
InChIKeyLWACZDKTDBTHMZ-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 61477904
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 106833079
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110733980
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 62056573) is N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is LWACZDKTDBTHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-4-5-13(20-11)10-17-21(18,19)14-6-7-15-12(9-14)3-2-8-16-15/h4-7,9,16-17H,2-3,8,10H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 62056573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).