1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone

C14H24N2O3S2 — CID 103420506

IUPAC1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
SMILESCCCCN(CC)c1sc(C(C)=O)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C14H24N2O3S2/c1-5-8-9-16(6-2)14-13(21(18,19)7-3)11(15)12(20-14)10(4)17/h5-9,15H2,1-4H3
InChIKeyVXOGCSLQKPYCGX-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.95
Rot. Bonds8

About 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone

1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone (PubChem CID 103420506) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
PubChem CID103420506
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
SMILESCCCCN(CC)c1sc(C(C)=O)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C14H24N2O3S2/c1-5-8-9-16(6-2)14-13(21(18,19)7-3)11(15)12(20-14)10(4)17/h5-9,15H2,1-4H3
InChIKeyVXOGCSLQKPYCGX-UHFFFAOYSA-N
XLogP2.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone (CID 103420506) is 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone is CCCCN(CC)c1sc(C(C)=O)c(N)c1S(=O)(=O)CC.
What is the InChIKey of 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone?
The InChIKey is VXOGCSLQKPYCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-5-8-9-16(6-2)14-13(21(18,19)7-3)11(15)12(20-14)10(4)17/h5-9,15H2,1-4H3.
What are the key properties of 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone?
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone has a molecular weight of 332.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone is sourced from PubChem (CID 103420506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).