1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide

C11H22N2OS — CID 112659192

IUPAC1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C11H22N2OS/c1-4-9(8-15-3)13(2)10(14)11(12)6-5-7-11/h9H,4-8,12H2,1-3H3
InChIKeyIGPQSHVMAIOPAI-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.47
Rot. Bonds5

About 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide

1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide (PubChem CID 112659192) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
PubChem CID112659192
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C11H22N2OS/c1-4-9(8-15-3)13(2)10(14)11(12)6-5-7-11/h9H,4-8,12H2,1-3H3
InChIKeyIGPQSHVMAIOPAI-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide (CID 112659192) is 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide is CCC(CSC)N(C)C(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is IGPQSHVMAIOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-9(8-15-3)13(2)10(14)11(12)6-5-7-11/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide?
1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.47, 5 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-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 112659192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).