1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

C14H25NOS2 — CID 103816316

IUPAC1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H25NOS2/c1-13(2,3)12-7-6-11(18-12)8-15-9-14(4,16)10-17-5/h6-7,15-16H,8-10H2,1-5H3
InChIKeyVZQWVJZOYNDYDD-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.25
Rot. Bonds6

About 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 103816316) has the molecular formula C14H25NOS2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID103816316
Molecular FormulaC14H25NOS2
Molecular Weight287.49 g/mol
Exact Mass287.14
IUPAC Name1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H25NOS2/c1-13(2,3)12-7-6-11(18-12)8-15-9-14(4,16)10-17-5/h6-7,15-16H,8-10H2,1-5H3
InChIKeyVZQWVJZOYNDYDD-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111437042
2-[[(5-tert-butylthiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251612
N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529605
1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106245884
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
CID 123291785
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
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
2-methyl-1-methylsulfanyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111437048
2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol
CID 66170674

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 103816316) is 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is VZQWVJZOYNDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS2/c1-13(2,3)12-7-6-11(18-12)8-15-9-14(4,16)10-17-5/h6-7,15-16H,8-10H2,1-5H3.
What are the key properties of 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 287.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103816316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).