1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide

C15H22N2OS — CID 115447604

IUPAC1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCSc1ccc(C(C)NC(=O)C2(CN)CCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-11(12-4-6-13(19-2)7-5-12)17-14(18)15(10-16)8-3-9-15/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyVRQQEXVHYFERED-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.71
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115447604) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID115447604
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCSc1ccc(C(C)NC(=O)C2(CN)CCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-11(12-4-6-13(19-2)7-5-12)17-14(18)15(10-16)8-3-9-15/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyVRQQEXVHYFERED-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197186
1-(aminomethyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119721956
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115452372
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide (CID 115447604) is 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide is CSc1ccc(C(C)NC(=O)C2(CN)CCC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is VRQQEXVHYFERED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(12-4-6-13(19-2)7-5-12)17-14(18)15(10-16)8-3-9-15/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115447604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).