2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine

C17H27NOS — CID 64652199

IUPAC2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NOS/c1-5-18-15-7-6-8-16(15)20(19)14-11-9-13(10-12-14)17(2,3)4/h9-12,15-16,18H,5-8H2,1-4H3
InChIKeySSHRLUSQJHAKSS-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine

2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine (PubChem CID 64652199) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
PubChem CID64652199
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NOS/c1-5-18-15-7-6-8-16(15)20(19)14-11-9-13(10-12-14)17(2,3)4/h9-12,15-16,18H,5-8H2,1-4H3
InChIKeySSHRLUSQJHAKSS-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023
[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
CID 81328026
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
N-ethyl-2-propylsulfinylcyclopentan-1-amine
CID 64653812
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 64651573
2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64658093
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine (CID 64652199) is 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine is CCNC1CCCC1S(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The InChIKey is SSHRLUSQJHAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-18-15-7-6-8-16(15)20(19)14-11-9-13(10-12-14)17(2,3)4/h9-12,15-16,18H,5-8H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine?
2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64652199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).