2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one

C11H21NOS — CID 112661915

IUPAC2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
SMILESCSCCN(C)C1CCCCCC1=O
InChIInChI=1S/C11H21NOS/c1-12(8-9-14-2)10-6-4-3-5-7-11(10)13/h10H,3-9H2,1-2H3
InChIKeyPODJRRFAKMQZDV-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.18
Rot. Bonds4

About 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one

2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one (PubChem CID 112661915) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
PubChem CID112661915
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
SMILESCSCCN(C)C1CCCCCC1=O
InChIInChI=1S/C11H21NOS/c1-12(8-9-14-2)10-6-4-3-5-7-11(10)13/h10H,3-9H2,1-2H3
InChIKeyPODJRRFAKMQZDV-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one?
The IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one (CID 112661915) is 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one is CSCCN(C)C1CCCCCC1=O.
What is the InChIKey of 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one?
The InChIKey is PODJRRFAKMQZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-12(8-9-14-2)10-6-4-3-5-7-11(10)13/h10H,3-9H2,1-2H3.
What are the key properties of 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one?
2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one has a molecular weight of 215.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one is sourced from PubChem (CID 112661915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).