[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone

C16H22N2OS — CID 103427588

IUPAC[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
SMILESCC(Nc1sc(C(=O)C2CC2)c(N)c1C1CC1)C1CC1
InChIInChI=1S/C16H22N2OS/c1-8(9-2-3-9)18-16-12(10-4-5-10)13(17)15(20-16)14(19)11-6-7-11/h8-11,18H,2-7,17H2,1H3
InChIKeyYCDCNNPNVRCDQA-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.01
Rot. Bonds6

About [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone

[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103427588) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
PubChem CID103427588
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
SMILESCC(Nc1sc(C(=O)C2CC2)c(N)c1C1CC1)C1CC1
InChIInChI=1S/C16H22N2OS/c1-8(9-2-3-9)18-16-12(10-4-5-10)13(17)15(20-16)14(19)11-6-7-11/h8-11,18H,2-7,17H2,1H3
InChIKeyYCDCNNPNVRCDQA-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427575
[3-amino-4-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425805
[3-amino-4-cyclopropyl-5-(hexylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103420087
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
CID 103427607
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228
[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103426906
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427604
methyl 5-acetyl-4-amino-2-(1-cyclopropylethylamino)thiophene-3-carboxylate
CID 103427566
1-[3-amino-4-cyclopropyl-5-(cyclopropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423663
3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
CID 103424836
3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103423277

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone (CID 103427588) is [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone is CC(Nc1sc(C(=O)C2CC2)c(N)c1C1CC1)C1CC1.
What is the InChIKey of [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is YCDCNNPNVRCDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-8(9-2-3-9)18-16-12(10-4-5-10)13(17)15(20-16)14(19)11-6-7-11/h8-11,18H,2-7,17H2,1H3.
What are the key properties of [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 290.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103427588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).