[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

C15H24N2OS2 — CID 103417890

IUPAC[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCSc1c(N(C)CCC(C)C)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H24N2OS2/c1-9(2)7-8-17(3)15-14(19-4)11(16)13(20-15)12(18)10-5-6-10/h9-10H,5-8,16H2,1-4H3
InChIKeyCVZSVAWIRQRSDM-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.13
Rot. Bonds7

About [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103417890) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103417890
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCSc1c(N(C)CCC(C)C)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H24N2OS2/c1-9(2)7-8-17(3)15-14(19-4)11(16)13(20-15)12(18)10-5-6-10/h9-10H,5-8,16H2,1-4H3
InChIKeyCVZSVAWIRQRSDM-UHFFFAOYSA-N
XLogP4.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (CID 103417890) is [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is CSc1c(N(C)CCC(C)C)sc(C(=O)C2CC2)c1N.
What is the InChIKey of [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is CVZSVAWIRQRSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2/c1-9(2)7-8-17(3)15-14(19-4)11(16)13(20-15)12(18)10-5-6-10/h9-10H,5-8,16H2,1-4H3.
What are the key properties of [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 312.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103417890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).