1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone

C15H24N2OS2 — CID 103508345

IUPAC1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone
SMILESCCC1CCC(Nc2sc(C(C)=O)c(N)c2SC)CC1
InChIInChI=1S/C15H24N2OS2/c1-4-10-5-7-11(8-6-10)17-15-14(19-3)12(16)13(20-15)9(2)18/h10-11,17H,4-8,16H2,1-3H3
InChIKeyJYMWXTRREARDAK-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.64
Rot. Bonds5

About 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone

1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone (PubChem CID 103508345) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone
PubChem CID103508345
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone
SMILESCCC1CCC(Nc2sc(C(C)=O)c(N)c2SC)CC1
InChIInChI=1S/C15H24N2OS2/c1-4-10-5-7-11(8-6-10)17-15-14(19-3)12(16)13(20-15)9(2)18/h10-11,17H,4-8,16H2,1-3H3
InChIKeyJYMWXTRREARDAK-UHFFFAOYSA-N
XLogP4.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone (CID 103508345) is 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone is CCC1CCC(Nc2sc(C(C)=O)c(N)c2SC)CC1.
What is the InChIKey of 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone?
The InChIKey is JYMWXTRREARDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2/c1-4-10-5-7-11(8-6-10)17-15-14(19-3)12(16)13(20-15)9(2)18/h10-11,17H,4-8,16H2,1-3H3.
What are the key properties of 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone?
1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone has a molecular weight of 312.50 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone is sourced from PubChem (CID 103508345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).