1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide

C13H19ClN2OS — CID 113311611

IUPAC1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1(CN)CCC1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(8-10-4-5-11(14)18-10)12(17)13(9-15)6-3-7-13/h4-5H,2-3,6-9,15H2,1H3
InChIKeyAEWKFDPSZAVADQ-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.88
Rot. Bonds5

About 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide (PubChem CID 113311611) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
PubChem CID113311611
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1(CN)CCC1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(8-10-4-5-11(14)18-10)12(17)13(9-15)6-3-7-13/h4-5H,2-3,6-9,15H2,1H3
InChIKeyAEWKFDPSZAVADQ-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcycloheptane-1-carboxamide
CID 115443872
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide
CID 134040980
1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
CID 116600380
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N-prop-2-enylpiperidine-3-carboxamide
CID 63130637
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide (CID 113311611) is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide?
The InChIKey is AEWKFDPSZAVADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-16(8-10-4-5-11(14)18-10)12(17)13(9-15)6-3-7-13/h4-5H,2-3,6-9,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide is sourced from PubChem (CID 113311611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).