1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide

C18H28N2O4S — CID 58689937

IUPAC1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide
SMILESCCN1c2ccccc2C(CS(=O)(=O)N(CCO)CCO)=CC1(C)C
InChIInChI=1S/C18H28N2O4S/c1-4-20-17-8-6-5-7-16(17)15(13-18(20,2)3)14-25(23,24)19(9-11-21)10-12-22/h5-8,13,21-22H,4,9-12,14H2,1-3H3
InChIKeyUCFVSSNKEYYGRG-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.30
Rot. Bonds8

About 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide

1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide (PubChem CID 58689937) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide
PubChem CID58689937
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide
SMILESCCN1c2ccccc2C(CS(=O)(=O)N(CCO)CCO)=CC1(C)C
InChIInChI=1S/C18H28N2O4S/c1-4-20-17-8-6-5-7-16(17)15(13-18(20,2)3)14-25(23,24)19(9-11-21)10-12-22/h5-8,13,21-22H,4,9-12,14H2,1-3H3
InChIKeyUCFVSSNKEYYGRG-UHFFFAOYSA-N
XLogP1.30
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(1-ethyl-2,2-dimethylquinolin-4-yl)methylsulfonyloxy]piperidine-4-carboxylate
CID 58381955
1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61111090
2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline
CID 21265392
N-(2-bromoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 80669812
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
1-(6-ethyl-7,7,17,19,19,20-hexamethyl-2-oxa-13,20-diaza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,21-octaen-9-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide
CID 58350934
2,2-didecyl-3-(1-ethyl-2,2-dimethylquinolin-4-yl)thiaziridin-2-ium 1,1-dioxide
CID 58689986
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one
CID 12701939
3-(dipropylamino)-N,N-bis(2-hydroxyethyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 23931963
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide (CID 58689937) is 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide is CCN1c2ccccc2C(CS(=O)(=O)N(CCO)CCO)=CC1(C)C.
What is the InChIKey of 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide?
The InChIKey is UCFVSSNKEYYGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-20-17-8-6-5-7-16(17)15(13-18(20,2)3)14-25(23,24)19(9-11-21)10-12-22/h5-8,13,21-22H,4,9-12,14H2,1-3H3.
What are the key properties of 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide?
1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,2-dimethylquinolin-4-yl)-N,N-bis(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 58689937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).