N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine

C16H23NS — CID 113383826

IUPACN-[3-(2-methylphenyl)cyclobutyl]thian-3-amine
SMILESCc1ccccc1C1CC(NC2CCCSC2)C1
InChIInChI=1S/C16H23NS/c1-12-5-2-3-7-16(12)13-9-15(10-13)17-14-6-4-8-18-11-14/h2-3,5,7,13-15,17H,4,6,8-11H2,1H3
InChIKeyZDKVFFHZYGTRFG-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.73
Rot. Bonds3

About N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine

N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine (PubChem CID 113383826) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)cyclobutyl]thian-3-amine
PubChem CID113383826
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-[3-(2-methylphenyl)cyclobutyl]thian-3-amine
SMILESCc1ccccc1C1CC(NC2CCCSC2)C1
InChIInChI=1S/C16H23NS/c1-12-5-2-3-7-16(12)13-9-15(10-13)17-14-6-4-8-18-11-14/h2-3,5,7,13-15,17H,4,6,8-11H2,1H3
InChIKeyZDKVFFHZYGTRFG-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62872168
N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
CID 131057670
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
N-[(2,6-dimethylphenyl)methyl]thian-3-amine
CID 115897863
9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
CID 126838075
N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine
CID 115646636
2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 115977800
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
N-(4-bromo-2-methylphenyl)thian-3-amine
CID 62872313

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine?
The IUPAC name of N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine (CID 113383826) is N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine.
What is the SMILES notation for N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine?
The canonical SMILES for N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine is Cc1ccccc1C1CC(NC2CCCSC2)C1.
What is the InChIKey of N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine?
The InChIKey is ZDKVFFHZYGTRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-12-5-2-3-7-16(12)13-9-15(10-13)17-14-6-4-8-18-11-14/h2-3,5,7,13-15,17H,4,6,8-11H2,1H3.
What are the key properties of N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine?
N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine has a molecular weight of 261.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine is sourced from PubChem (CID 113383826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).