2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide

C14H24N2O3S2 — CID 102754636

IUPAC2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H24N2O3S2/c1-5-15-8-13-14(10(2)9-20-13)21(17,18)16(4)12-6-7-19-11(12)3/h9,11-12,15H,5-8H2,1-4H3
InChIKeyFCKQQMAZRJBOKJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.96
Rot. Bonds6

About 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide (PubChem CID 102754636) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
PubChem CID102754636
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H24N2O3S2/c1-5-15-8-13-14(10(2)9-20-13)21(17,18)16(4)12-6-7-19-11(12)3/h9,11-12,15H,5-8H2,1-4H3
InChIKeyFCKQQMAZRJBOKJ-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
CID 75471365
4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064612
N-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091837
N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106091838
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63247265
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63247266
N-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]propan-2-amine
CID 65747894
N-[[4-(2-methylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]propan-2-amine
CID 65748697
N-[[3-methyl-5-(2-methylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]propan-2-amine
CID 65749638
N-[[4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine
CID 65757053
N-[[4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 65757243
1-[4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 65757244

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide (CID 102754636) is 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)N(C)C1CCOC1C.
What is the InChIKey of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is FCKQQMAZRJBOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-5-15-8-13-14(10(2)9-20-13)21(17,18)16(4)12-6-7-19-11(12)3/h9,11-12,15H,5-8H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 102754636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).