1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol

C15H23NOS — CID 62624374

IUPAC1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol
SMILESCc1ccccc1C(O)CCN(C)C1CCSC1
InChIInChI=1S/C15H23NOS/c1-12-5-3-4-6-14(12)15(17)7-9-16(2)13-8-10-18-11-13/h3-6,13,15,17H,7-11H2,1-2H3
InChIKeyZKIFTSFKVMHEET-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol

1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol (PubChem CID 62624374) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol
PubChem CID62624374
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol
SMILESCc1ccccc1C(O)CCN(C)C1CCSC1
InChIInChI=1S/C15H23NOS/c1-12-5-3-4-6-14(12)15(17)7-9-16(2)13-8-10-18-11-13/h3-6,13,15,17H,7-11H2,1-2H3
InChIKeyZKIFTSFKVMHEET-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
N'-methyl-N-(2-methylphenyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561502
(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol
CID 78939608
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624909
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619338

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
The IUPAC name of 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol (CID 62624374) is 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol is Cc1ccccc1C(O)CCN(C)C1CCSC1.
What is the InChIKey of 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
The InChIKey is ZKIFTSFKVMHEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-5-3-4-6-14(12)15(17)7-9-16(2)13-8-10-18-11-13/h3-6,13,15,17H,7-11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 62624374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).