[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone

C16H26N2O2S — CID 103426906

IUPAC[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)Oc1c(NC(C)C(C)C)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C16H26N2O2S/c1-8(2)10(5)18-16-14(20-9(3)4)12(17)15(21-16)13(19)11-6-7-11/h8-11,18H,6-7,17H2,1-5H3
InChIKeyRRJODRLODVSPNF-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.17
Rot. Bonds7

About [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 103426906) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
PubChem CID103426906
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)Oc1c(NC(C)C(C)C)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C16H26N2O2S/c1-8(2)10(5)18-16-14(20-9(3)4)12(17)15(21-16)13(19)11-6-7-11/h8-11,18H,6-7,17H2,1-5H3
InChIKeyRRJODRLODVSPNF-UHFFFAOYSA-N
XLogP4.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103428631
[3-amino-4-methoxy-5-(2-methylpentan-3-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103508452
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425110
[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103427588
3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103423672
[3-amino-4-methoxy-5-(3-methylbutylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425667
1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103424685
[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103507066
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103425115

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone (CID 103426906) is [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone is CC(C)Oc1c(NC(C)C(C)C)sc(C(=O)C2CC2)c1N.
What is the InChIKey of [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is RRJODRLODVSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-8(2)10(5)18-16-14(20-9(3)4)12(17)15(21-16)13(19)11-6-7-11/h8-11,18H,6-7,17H2,1-5H3.
What are the key properties of [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 310.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).