N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline

C14H21NS — CID 79859896

IUPACN-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NC1CCCC1(C)C
InChIInChI=1S/C14H21NS/c1-14(2)10-6-9-13(14)15-11-7-4-5-8-12(11)16-3/h4-5,7-8,13,15H,6,9-10H2,1-3H3
InChIKeyGATFBNKGLUXUCK-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.40
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline

N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline (PubChem CID 79859896) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline
PubChem CID79859896
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NC1CCCC1(C)C
InChIInChI=1S/C14H21NS/c1-14(2)10-6-9-13(14)15-11-7-4-5-8-12(11)16-3/h4-5,7-8,13,15H,6,9-10H2,1-3H3
InChIKeyGATFBNKGLUXUCK-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2-(trifluoromethylsulfanyl)aniline
CID 79829200
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
CID 114254485
methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79864939
2-[(2,2-dimethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 79860587
N-(2,2-dimethylcyclobutyl)-2-methylaniline
CID 130532967
N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 79828961
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
CID 107527334
N-(2,2-dimethylcyclopentyl)-2-methyl-3-nitroaniline
CID 79859590
2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 79870620
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
CID 79860471

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline (CID 79859896) is N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline is CSc1ccccc1NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline?
The InChIKey is GATFBNKGLUXUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(2)10-6-9-13(14)15-11-7-4-5-8-12(11)16-3/h4-5,7-8,13,15H,6,9-10H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline?
N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline has a molecular weight of 235.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline is sourced from PubChem (CID 79859896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).