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

C14H22N2OS — CID 103417820

IUPAC[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)CCN(C)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C14H22N2OS/c1-9(2)6-7-16(3)12-8-11(15)14(18-12)13(17)10-4-5-10/h8-10H,4-7,15H2,1-3H3
InChIKeyDEVOWSUBPOPWEC-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.41
Rot. Bonds6

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

[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103417820) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103417820
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)CCN(C)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C14H22N2OS/c1-9(2)6-7-16(3)12-8-11(15)14(18-12)13(17)10-4-5-10/h8-10H,4-7,15H2,1-3H3
InChIKeyDEVOWSUBPOPWEC-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone (CID 103417820) is [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone is CC(C)CCN(C)c1cc(N)c(C(=O)C2CC2)s1.
What is the InChIKey of [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is DEVOWSUBPOPWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(2)6-7-16(3)12-8-11(15)14(18-12)13(17)10-4-5-10/h8-10H,4-7,15H2,1-3H3.
What are the key properties of [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 266.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103417820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).