N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine

C8H17NS — CID 90131320

IUPACN,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine
SMILESCSCC1(N(C)C)CCC1
InChIInChI=1S/C8H17NS/c1-9(2)8(7-10-3)5-4-6-8/h4-7H2,1-3H3
InChIKeyVXCKYLFBJMHLGZ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds3

About N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine

N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine (PubChem CID 90131320) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine
PubChem CID90131320
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine
SMILESCSCC1(N(C)C)CCC1
InChIInChI=1S/C8H17NS/c1-9(2)8(7-10-3)5-4-6-8/h4-7H2,1-3H3
InChIKeyVXCKYLFBJMHLGZ-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine (CID 90131320) is N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine is CSCC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine?
The InChIKey is VXCKYLFBJMHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9(2)8(7-10-3)5-4-6-8/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine?
N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(methylsulfanylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 90131320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).