N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine

C14H21NOS — CID 64904098

IUPACN,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(C)cc2)C1C
InChIInChI=1S/C14H21NOS/c1-10-4-6-12(7-5-10)17(16)14-9-8-13(15-3)11(14)2/h4-7,11,13-15H,8-9H2,1-3H3
InChIKeyIESALCCZHFKIPR-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.49
Rot. Bonds3

About N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine

N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine (PubChem CID 64904098) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine
PubChem CID64904098
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(C)cc2)C1C
InChIInChI=1S/C14H21NOS/c1-10-4-6-12(7-5-10)17(16)14-9-8-13(15-3)11(14)2/h4-7,11,13-15H,8-9H2,1-3H3
InChIKeyIESALCCZHFKIPR-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine?
The IUPAC name of N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine (CID 64904098) is N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine is CNC1CCC(S(=O)c2ccc(C)cc2)C1C.
What is the InChIKey of N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine?
The InChIKey is IESALCCZHFKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-4-6-12(7-5-10)17(16)14-9-8-13(15-3)11(14)2/h4-7,11,13-15H,8-9H2,1-3H3.
What are the key properties of N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine?
N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(4-methylphenyl)sulfinylcyclopentan-1-amine is sourced from PubChem (CID 64904098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).