2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine

C15H23NO2S — CID 62582422

IUPAC2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCOc1cccc(SC(C)CNCC2CCCO2)c1
InChIInChI=1S/C15H23NO2S/c1-12(10-16-11-14-6-4-8-18-14)19-15-7-3-5-13(9-15)17-2/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3
InChIKeyPOTFMBNFMSCMDA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.94
Rot. Bonds7

About 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine

2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 62582422) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID62582422
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCOc1cccc(SC(C)CNCC2CCCO2)c1
InChIInChI=1S/C15H23NO2S/c1-12(10-16-11-14-6-4-8-18-14)19-15-7-3-5-13(9-15)17-2/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3
InChIKeyPOTFMBNFMSCMDA-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633751
N-[2-(3-methoxyphenyl)sulfanylpropyl]-3-methylbutan-1-amine
CID 62582786
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
2-[(3-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62764881
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102925959
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 62582422) is 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine is COc1cccc(SC(C)CNCC2CCCO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is POTFMBNFMSCMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(10-16-11-14-6-4-8-18-14)19-15-7-3-5-13(9-15)17-2/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62582422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).