2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide

C14H22N2OS — CID 81169154

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
SMILESCCc1ccsc1CNC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H22N2OS/c1-2-11-4-7-18-12(11)9-16-13(17)8-14(10-15)5-3-6-14/h4,7H,2-3,5-6,8-10,15H2,1H3,(H,16,17)
InChIKeyIPOPLJKHBDSCEV-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.45
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide (PubChem CID 81169154) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
PubChem CID81169154
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
SMILESCCc1ccsc1CNC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H22N2OS/c1-2-11-4-7-18-12(11)9-16-13(17)8-14(10-15)5-3-6-14/h4,7H,2-3,5-6,8-10,15H2,1H3,(H,16,17)
InChIKeyIPOPLJKHBDSCEV-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine
CID 115440073
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
1-carbamothioyl-N-[(3-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 80590985
2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 81168792
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 81168800
N-[(3-ethylthiophen-2-yl)methyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80593591
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 81172882
N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71972313
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 81168695
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide (CID 81169154) is 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide is CCc1ccsc1CNC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide?
The InChIKey is IPOPLJKHBDSCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-11-4-7-18-12(11)9-16-13(17)8-14(10-15)5-3-6-14/h4,7H,2-3,5-6,8-10,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 81169154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).