(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine

C13H19NOS — CID 106848650

IUPAC(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine
SMILESCCSc1ccc(C(N)C2CCOC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-6,11,13H,2,7-9,14H2,1H3
InChIKeySSYIZZLIOMSHFF-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.83
Rot. Bonds4

About (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine

(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine (PubChem CID 106848650) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine
PubChem CID106848650
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine
SMILESCCSc1ccc(C(N)C2CCOC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-6,11,13H,2,7-9,14H2,1H3
InChIKeySSYIZZLIOMSHFF-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine (CID 106848650) is (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine is CCSc1ccc(C(N)C2CCOC2)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine?
The InChIKey is SSYIZZLIOMSHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-16-12-5-3-10(4-6-12)13(14)11-7-8-15-9-11/h3-6,11,13H,2,7-9,14H2,1H3.
What are the key properties of (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine?
(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 106848650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).