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

C15H22N2OS — CID 103509114

IUPAC[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESCCC1CCCN(c2cc(N)c(C(=O)C3CC3)s2)C1
InChIInChI=1S/C15H22N2OS/c1-2-10-4-3-7-17(9-10)13-8-12(16)15(19-13)14(18)11-5-6-11/h8,10-11H,2-7,9,16H2,1H3
InChIKeyUUWFAJCVKJUXBF-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.55
Rot. Bonds4

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

[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103509114) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID103509114
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESCCC1CCCN(c2cc(N)c(C(=O)C3CC3)s2)C1
InChIInChI=1S/C15H22N2OS/c1-2-10-4-3-7-17(9-10)13-8-12(16)15(19-13)14(18)11-5-6-11/h8,10-11H,2-7,9,16H2,1H3
InChIKeyUUWFAJCVKJUXBF-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
[3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 107409245
[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
CID 103507702
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103422726
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422884
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone (CID 103509114) is [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone is CCC1CCCN(c2cc(N)c(C(=O)C3CC3)s2)C1.
What is the InChIKey of [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is UUWFAJCVKJUXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-10-4-3-7-17(9-10)13-8-12(16)15(19-13)14(18)11-5-6-11/h8,10-11H,2-7,9,16H2,1H3.
What are the key properties of [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 278.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103509114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).