(1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium

C10H18NOS+ — CID 7836002

IUPAC(1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccc(C[NH2+]C(C)(C)CO)s1
InChIInChI=1S/C10H17NOS/c1-8-4-5-9(13-8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3/p+1
InChIKeyOFSXVWYVDKFVSA-UHFFFAOYSA-O
MW200.33 g/mol
LogP0.89
Rot. Bonds4

About (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium

(1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium (PubChem CID 7836002) has the molecular formula C10H18NOS+ and a molecular weight of 200.33 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium
PubChem CID7836002
Molecular FormulaC10H18NOS+
Molecular Weight200.33 g/mol
Exact Mass200.11
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccc(C[NH2+]C(C)(C)CO)s1
InChIInChI=1S/C10H17NOS/c1-8-4-5-9(13-8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3/p+1
InChIKeyOFSXVWYVDKFVSA-UHFFFAOYSA-O
XLogP0.89
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium (CID 7836002) is (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium is Cc1ccc(C[NH2+]C(C)(C)CO)s1.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
The InChIKey is OFSXVWYVDKFVSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17NOS/c1-8-4-5-9(13-8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3/p+1.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
(1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium has a molecular weight of 200.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)-[(5-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 7836002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).