N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine

C9H17NS — CID 130622334

IUPACN-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
SMILESCSC1CCC1NC1CCC1
InChIInChI=1S/C9H17NS/c1-11-9-6-5-8(9)10-7-3-2-4-7/h7-10H,2-6H2,1H3
InChIKeyZOQCTULIPGMARB-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.02
Rot. Bonds3

About N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine

N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine (PubChem CID 130622334) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine.

Molecular Properties

Compound NameN-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
PubChem CID130622334
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
SMILESCSC1CCC1NC1CCC1
InChIInChI=1S/C9H17NS/c1-11-9-6-5-8(9)10-7-3-2-4-7/h7-10H,2-6H2,1H3
InChIKeyZOQCTULIPGMARB-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine?
The IUPAC name of N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine (CID 130622334) is N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine.
What is the SMILES notation for N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine?
The canonical SMILES for N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine is CSC1CCC1NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine?
The InChIKey is ZOQCTULIPGMARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-11-9-6-5-8(9)10-7-3-2-4-7/h7-10H,2-6H2,1H3.
What are the key properties of N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine?
N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine is sourced from PubChem (CID 130622334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).