1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide

C11H16N2OS — CID 115453520

IUPAC1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cscc1CNC(=O)C1(CN)CC1
InChIInChI=1S/C11H16N2OS/c1-8-5-15-6-9(8)4-13-10(14)11(7-12)2-3-11/h5-6H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyKQOKYISQVBIHBV-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.41
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 115453520) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID115453520
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cscc1CNC(=O)C1(CN)CC1
InChIInChI=1S/C11H16N2OS/c1-8-5-15-6-9(8)4-13-10(14)11(7-12)2-3-11/h5-6H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyKQOKYISQVBIHBV-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182693
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
CID 106416507
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 115437889
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
7-amino-8,8-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946384
1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
CID 62845577

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide (CID 115453520) is 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide is Cc1cscc1CNC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is KQOKYISQVBIHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-5-15-6-9(8)4-13-10(14)11(7-12)2-3-11/h5-6H,2-4,7,12H2,1H3,(H,13,14).
What are the key properties of 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115453520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).