1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine

C14H21NOS — CID 104754397

IUPAC1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
SMILESCc1ccc(S(=O)CC(N)C2CCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-11-6-8-13(9-7-11)17(16)10-14(15)12-4-2-3-5-12/h6-9,12,14H,2-5,10,15H2,1H3
InChIKeyZNMXMJLOIPUOEG-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.62
Rot. Bonds4

About 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine

1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine (PubChem CID 104754397) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
PubChem CID104754397
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
SMILESCc1ccc(S(=O)CC(N)C2CCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-11-6-8-13(9-7-11)17(16)10-14(15)12-4-2-3-5-12/h6-9,12,14H,2-5,10,15H2,1H3
InChIKeyZNMXMJLOIPUOEG-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
CID 104754574
1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
CID 64659864
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449406
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-amine;hydrochloride
CID 44633422
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine
CID 115479181
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol
CID 167596869

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine?
The IUPAC name of 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine (CID 104754397) is 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine is Cc1ccc(S(=O)CC(N)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine?
The InChIKey is ZNMXMJLOIPUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-6-8-13(9-7-11)17(16)10-14(15)12-4-2-3-5-12/h6-9,12,14H,2-5,10,15H2,1H3.
What are the key properties of 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine?
1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine has a molecular weight of 251.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine is sourced from PubChem (CID 104754397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).