[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone

C15H23N3OS — CID 103430251

IUPAC[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCCN1CCC(CNc2cc(N)c(C(=O)C3CC3)s2)C1
InChIInChI=1S/C15H23N3OS/c1-2-18-6-5-10(9-18)8-17-13-7-12(16)15(20-13)14(19)11-3-4-11/h7,10-11,17H,2-6,8-9,16H2,1H3
InChIKeyRNZSUJKBGNYTFI-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.68
Rot. Bonds6

About [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103430251) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103430251
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCCN1CCC(CNc2cc(N)c(C(=O)C3CC3)s2)C1
InChIInChI=1S/C15H23N3OS/c1-2-18-6-5-10(9-18)8-17-13-7-12(16)15(20-13)14(19)11-3-4-11/h7,10-11,17H,2-6,8-9,16H2,1H3
InChIKeyRNZSUJKBGNYTFI-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]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

1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzoic acid
CID 60989732
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
CID 61306295
1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone
CID 103430824
1-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 62911118
2-bromo-1-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methylbenzene-1,4-diamine
CID 114048177
methyl 5-amino-3-chloro-2-[(1-ethylpyrrolidin-3-yl)methylamino]benzoate
CID 107194299
[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103525865
2-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 79466433
3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426292
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone (CID 103430251) is [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone is CCN1CCC(CNc2cc(N)c(C(=O)C3CC3)s2)C1.
What is the InChIKey of [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is RNZSUJKBGNYTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-18-6-5-10(9-18)8-17-13-7-12(16)15(20-13)14(19)11-3-4-11/h7,10-11,17H,2-6,8-9,16H2,1H3.
What are the key properties of [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 293.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103430251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).