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

C12H17ClN2OS — CID 115452737

IUPAC1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1(CN)CC1
InChIInChI=1S/C12H17ClN2OS/c1-2-15(7-9-3-4-10(13)17-9)11(16)12(8-14)5-6-12/h3-4H,2,5-8,14H2,1H3
InChIKeyLZDXLOQZQHCMJA-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.49
Rot. Bonds5

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

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide (PubChem CID 115452737) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
PubChem CID115452737
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1(CN)CC1
InChIInChI=1S/C12H17ClN2OS/c1-2-15(7-9-3-4-10(13)17-9)11(16)12(8-14)5-6-12/h3-4H,2,5-8,14H2,1H3
InChIKeyLZDXLOQZQHCMJA-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
CID 113311611
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcycloheptane-1-carboxamide
CID 115443872
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide
CID 134040980
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452807
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
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide
CID 79210713
4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride
CID 120924213
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide (CID 115452737) is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide?
The InChIKey is LZDXLOQZQHCMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-2-15(7-9-3-4-10(13)17-9)11(16)12(8-14)5-6-12/h3-4H,2,5-8,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.49, 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-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 115452737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).