N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine

C15H20ClNS — CID 115646636

IUPACN-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine
SMILESClc1ccccc1C1CC(NC2CCSCC2)C1
InChIInChI=1S/C15H20ClNS/c16-15-4-2-1-3-14(15)11-9-13(10-11)17-12-5-7-18-8-6-12/h1-4,11-13,17H,5-10H2
InChIKeyWUILKANIHMGLDZ-UHFFFAOYSA-N
MW281.85 g/mol
LogP4.07
Rot. Bonds3

About N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine

N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine (PubChem CID 115646636) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine
PubChem CID115646636
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC NameN-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine
SMILESClc1ccccc1C1CC(NC2CCSCC2)C1
InChIInChI=1S/C15H20ClNS/c16-15-4-2-1-3-14(15)11-9-13(10-11)17-12-5-7-18-8-6-12/h1-4,11-13,17H,5-10H2
InChIKeyWUILKANIHMGLDZ-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[3-(2-chlorophenyl)cyclobutyl]amino]cyclohexyl]methanol
CID 106359773
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632516
N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine
CID 113383826
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
N-[3-(2-chlorophenyl)cyclobutyl]-3,4,5-trifluoroaniline
CID 63478402
N-[(5-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)cyclobutan-1-amine
CID 63452021
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylaniline
CID 43632546
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
1-(3-tert-butylcyclobutyl)-2-chlorobenzene
CID 135182977
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134
3-(2-chlorophenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]cyclobutan-1-amine
CID 81039527

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine?
The IUPAC name of N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine (CID 115646636) is N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine.
What is the SMILES notation for N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine?
The canonical SMILES for N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine is Clc1ccccc1C1CC(NC2CCSCC2)C1.
What is the InChIKey of N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine?
The InChIKey is WUILKANIHMGLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNS/c16-15-4-2-1-3-14(15)11-9-13(10-11)17-12-5-7-18-8-6-12/h1-4,11-13,17H,5-10H2.
What are the key properties of N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine?
N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine has a molecular weight of 281.85 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine is sourced from PubChem (CID 115646636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).