(2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol

C11H19NO2S — CID 103773749

IUPAC(2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(CN[C@H](CO)C(C)C)s1
InChIInChI=1S/C11H19NO2S/c1-8(2)10(7-13)12-6-9-4-5-11(14-3)15-9/h4-5,8,10,12-13H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyZXRFQOHLFYWDBL-SNVBAGLBSA-N
MW229.34 g/mol
LogP1.86
Rot. Bonds6

About (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol

(2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 103773749) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol
PubChem CID103773749
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name(2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(CN[C@H](CO)C(C)C)s1
InChIInChI=1S/C11H19NO2S/c1-8(2)10(7-13)12-6-9-4-5-11(14-3)15-9/h4-5,8,10,12-13H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyZXRFQOHLFYWDBL-SNVBAGLBSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol (CID 103773749) is (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol is COc1ccc(CN[C@H](CO)C(C)C)s1.
What is the InChIKey of (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is ZXRFQOHLFYWDBL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-8(2)10(7-13)12-6-9-4-5-11(14-3)15-9/h4-5,8,10,12-13H,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol?
(2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 229.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methoxythiophen-2-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 103773749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).