2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

C11H19NOS2 — CID 111437042

IUPAC2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(C)s1
InChIInChI=1S/C11H19NOS2/c1-9-4-5-10(15-9)6-12-7-11(2,13)8-14-3/h4-5,12-13H,6-8H2,1-3H3
InChIKeyHEXHLISOYJOLLO-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.26
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 111437042) has the molecular formula C11H19NOS2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID111437042
Molecular FormulaC11H19NOS2
Molecular Weight245.41 g/mol
Exact Mass245.09
IUPAC Name2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(C)s1
InChIInChI=1S/C11H19NOS2/c1-9-4-5-10(15-9)6-12-7-11(2,13)8-14-3/h4-5,12-13H,6-8H2,1-3H3
InChIKeyHEXHLISOYJOLLO-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103816316
2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
CID 62056560
2-methyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethylsulfanyl]propan-2-ol
CID 115630880
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106245884
2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
CID 104755765
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 111437059
2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 103682845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (CID 111437042) is 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is CSCC(C)(O)CNCc1ccc(C)s1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is HEXHLISOYJOLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS2/c1-9-4-5-10(15-9)6-12-7-11(2,13)8-14-3/h4-5,12-13H,6-8H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111437042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).