(1-methylsulfanyl-3-phenylcyclobutyl)methanamine

C12H17NS — CID 65130641

IUPAC(1-methylsulfanyl-3-phenylcyclobutyl)methanamine
SMILESCSC1(CN)CC(c2ccccc2)C1
InChIInChI=1S/C12H17NS/c1-14-12(9-13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyWSDOFJLZUVLUHY-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.62
Rot. Bonds3

About (1-methylsulfanyl-3-phenylcyclobutyl)methanamine

(1-methylsulfanyl-3-phenylcyclobutyl)methanamine (PubChem CID 65130641) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (1-methylsulfanyl-3-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name(1-methylsulfanyl-3-phenylcyclobutyl)methanamine
PubChem CID65130641
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(1-methylsulfanyl-3-phenylcyclobutyl)methanamine
SMILESCSC1(CN)CC(c2ccccc2)C1
InChIInChI=1S/C12H17NS/c1-14-12(9-13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyWSDOFJLZUVLUHY-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine
CID 65138945
[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
CID 66096998
1-ethylsulfanyl-3-phenylcyclobutane-1-carbonitrile
CID 65130950
(3-phenyl-1-pyridin-2-ylcyclobutyl)methanamine
CID 80521414
[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine
CID 65017325
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361
1-(aminomethyl)-N-methyl-4-phenylcyclohexan-1-amine
CID 62066369
(1,2-diphenylcyclopropyl)methanamine
CID 12684736
[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
CID 178189931
cyclopropylbenzene;ethylhydrazine
CID 22346635
(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol
CID 110129632
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanyl-3-phenylcyclobutyl)methanamine?
The IUPAC name of (1-methylsulfanyl-3-phenylcyclobutyl)methanamine (CID 65130641) is (1-methylsulfanyl-3-phenylcyclobutyl)methanamine.
What is the SMILES notation for (1-methylsulfanyl-3-phenylcyclobutyl)methanamine?
The canonical SMILES for (1-methylsulfanyl-3-phenylcyclobutyl)methanamine is CSC1(CN)CC(c2ccccc2)C1.
What is the InChIKey of (1-methylsulfanyl-3-phenylcyclobutyl)methanamine?
The InChIKey is WSDOFJLZUVLUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-14-12(9-13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3.
What are the key properties of (1-methylsulfanyl-3-phenylcyclobutyl)methanamine?
(1-methylsulfanyl-3-phenylcyclobutyl)methanamine has a molecular weight of 207.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanyl-3-phenylcyclobutyl)methanamine is sourced from PubChem (CID 65130641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).