[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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Related Compounds

[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103509848
3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417808
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890
3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide
CID 103420375
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109
1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103417679
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile
CID 103421117
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509596
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
CID 103417843
[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
CID 103507702
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719

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).