[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

C14H23N3OS2 — CID 103422266

IUPAC[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCSc1c(N(C)CCN(C)C)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C14H23N3OS2/c1-16(2)7-8-17(3)14-13(19-4)10(15)12(20-14)11(18)9-5-6-9/h9H,5-8,15H2,1-4H3
InChIKeyHOYVHYBWTKOHEN-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.64
Rot. Bonds7

About [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103422266) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103422266
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCSc1c(N(C)CCN(C)C)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C14H23N3OS2/c1-16(2)7-8-17(3)14-13(19-4)10(15)12(20-14)11(18)9-5-6-9/h9H,5-8,15H2,1-4H3
InChIKeyHOYVHYBWTKOHEN-UHFFFAOYSA-N
XLogP2.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (CID 103422266) is [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is CSc1c(N(C)CCN(C)C)sc(C(=O)C2CC2)c1N.
What is the InChIKey of [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is HOYVHYBWTKOHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-16(2)7-8-17(3)14-13(19-4)10(15)12(20-14)11(18)9-5-6-9/h9H,5-8,15H2,1-4H3.
What are the key properties of [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 313.49 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103422266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).