4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine

C12H21NO3S2 — CID 115865302

IUPAC4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1sccc1OC
InChIInChI=1S/C12H21NO3S2/c1-4-18(14,15)9-5-6-10(13-2)12-11(16-3)7-8-17-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyBNTDBGABPPAYEJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.23
Rot. Bonds8

About 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine

4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine (PubChem CID 115865302) has the molecular formula C12H21NO3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
PubChem CID115865302
Molecular FormulaC12H21NO3S2
Molecular Weight291.44 g/mol
Exact Mass291.10
IUPAC Name4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1sccc1OC
InChIInChI=1S/C12H21NO3S2/c1-4-18(14,15)9-5-6-10(13-2)12-11(16-3)7-8-17-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyBNTDBGABPPAYEJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846200
1-(3-methoxythiophen-2-yl)nonylhydrazine
CID 105294508
[1-(3-methoxythiophen-2-yl)-5-methylhexyl]hydrazine
CID 105331419
[4-ethylsulfonyl-1-(3-ethylthiophen-2-yl)butyl]hydrazine
CID 105310812
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 103406210
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 65095593
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine
CID 105152636
1-(3-methoxythiophen-2-yl)decan-1-ol
CID 115782906
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine (CID 115865302) is 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine is CCS(=O)(=O)CCCC(NC)c1sccc1OC.
What is the InChIKey of 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
The InChIKey is BNTDBGABPPAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S2/c1-4-18(14,15)9-5-6-10(13-2)12-11(16-3)7-8-17-12/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 115865302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).