1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide

C14H20N2OS — CID 81171712

IUPAC1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2(N)CCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-16(13(17)14(15)8-3-9-14)10-11-4-6-12(18-2)7-5-11/h4-7H,3,8-10,15H2,1-2H3
InChIKeyVUHZYIUDMKVERS-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.25
Rot. Bonds4

About 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide

1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 81171712) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID81171712
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2(N)CCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-16(13(17)14(15)8-3-9-14)10-11-4-6-12(18-2)7-5-11/h4-7H,3,8-10,15H2,1-2H3
InChIKeyVUHZYIUDMKVERS-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 119320851
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
1-amino-N-[(3,4-difluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119717238
4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
CID 66249851
3-amino-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea
CID 115192806
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide (CID 81171712) is 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide is CSc1ccc(CN(C)C(=O)C2(N)CCC2)cc1.
What is the InChIKey of 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is VUHZYIUDMKVERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16(13(17)14(15)8-3-9-14)10-11-4-6-12(18-2)7-5-11/h4-7H,3,8-10,15H2,1-2H3.
What are the key properties of 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81171712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).