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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Related Compounds

1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
1-[3-amino-5-[(4,4-dimethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508116
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103525936
3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103423047
1-[3-amino-5-(3-ethylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103509067
1-[3-amino-5-(3-methylbut-2-enylamino)-4-methylsulfanylthiophen-2-yl]ethanone
CID 106199132
methyl 5-acetyl-4-amino-2-[(4-hydroxycyclohexyl)amino]thiophene-3-carboxylate
CID 103424711
methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
CID 103426561
1-[3-amino-5-(dicyclopropylmethylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508519
1-[3-amino-4-methylsulfanyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]ethanone
CID 103505961
1-[3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103421518
1-[3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103422018

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).