N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide

C16H20N2O3S — CID 95775848

IUPACN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
SMILESCCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O3S/c1-2-18(11-13-7-9-21-12-13)22(19,20)15-5-6-16-14(10-15)4-3-8-17-16/h3-6,8,10,13H,2,7,9,11-12H2,1H3/t13-/m0/s1
InChIKeyYFTIBTPXTMMFQJ-ZDUSSCGKSA-N
MW320.41 g/mol
LogP2.28
Rot. Bonds5

About N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide

N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide (PubChem CID 95775848) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
PubChem CID95775848
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
SMILESCCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O3S/c1-2-18(11-13-7-9-21-12-13)22(19,20)15-5-6-16-14(10-15)4-3-8-17-16/h3-6,8,10,13H,2,7,9,11-12H2,1H3/t13-/m0/s1
InChIKeyYFTIBTPXTMMFQJ-ZDUSSCGKSA-N
XLogP2.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
N,N-diethylquinoline-7-sulfonamide
CID 143961440
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
2-(oxolan-3-yl)-1-quinolin-6-ylethanone
CID 103986220
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
2,5-dibromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47350790
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide
CID 63980414
2-(oxolan-3-yl)-1-quinolin-6-ylethanamine
CID 103986818
4-amino-2-bromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61140278
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide?
The IUPAC name of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide (CID 95775848) is N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide.
What is the SMILES notation for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide?
The canonical SMILES for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide is CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide?
The InChIKey is YFTIBTPXTMMFQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-18(11-13-7-9-21-12-13)22(19,20)15-5-6-16-14(10-15)4-3-8-17-16/h3-6,8,10,13H,2,7,9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide?
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide is sourced from PubChem (CID 95775848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).