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

C15H23NOS — CID 62619338

IUPAC2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
SMILESCC(CN(C)C1CCSC1)C(O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-12(10-16(2)14-8-9-18-11-14)15(17)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3
InChIKeyBIMDZIZDAZYNFM-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.79
Rot. Bonds5

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

2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol (PubChem CID 62619338) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
PubChem CID62619338
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
SMILESCC(CN(C)C1CCSC1)C(O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-12(10-16(2)14-8-9-18-11-14)15(17)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3
InChIKeyBIMDZIZDAZYNFM-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62617631
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
2-[methyl(thiolan-3-yl)amino]-2-phenylacetic acid
CID 43296865
3-hydroxy-4-[methyl(thiolan-3-yl)amino]butanoic acid
CID 82776779
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617126
(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol
CID 78939608
2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619340
1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol
CID 62624374
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol (CID 62619338) is 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol is CC(CN(C)C1CCSC1)C(O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is BIMDZIZDAZYNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(10-16(2)14-8-9-18-11-14)15(17)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol?
2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62619338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).