1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide

C12H18N2OS — CID 115448466

IUPAC1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCCc2ccsc2)CCC1
InChIInChI=1S/C12H18N2OS/c13-9-12(4-1-5-12)11(15)14-6-2-10-3-7-16-8-10/h3,7-8H,1-2,4-6,9,13H2,(H,14,15)
InChIKeyHKMYCACMKPYVQW-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.54
Rot. Bonds5

About 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide (PubChem CID 115448466) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
PubChem CID115448466
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCCc2ccsc2)CCC1
InChIInChI=1S/C12H18N2OS/c13-9-12(4-1-5-12)11(15)14-6-2-10-3-7-16-8-10/h3,7-8H,1-2,4-6,9,13H2,(H,14,15)
InChIKeyHKMYCACMKPYVQW-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
1-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 80587959
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide
CID 115453472
1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
1-[(3-hydroxythiolan-3-yl)methyl]-3-(2-thiophen-3-ylethyl)urea
CID 111618538
5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide
CID 128724267

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide (CID 115448466) is 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide is NCC1(C(=O)NCCc2ccsc2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is HKMYCACMKPYVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-9-12(4-1-5-12)11(15)14-6-2-10-3-7-16-8-10/h3,7-8H,1-2,4-6,9,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).