3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol

C10H17NOS — CID 65394657

IUPAC3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol
SMILESCC(O)C(C)(CN)Cc1cccs1
InChIInChI=1S/C10H17NOS/c1-8(12)10(2,7-11)6-9-4-3-5-13-9/h3-5,8,12H,6-7,11H2,1-2H3
InChIKeyBRDDDFSPWRCXLQ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.64
Rot. Bonds4

About 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol

3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol (PubChem CID 65394657) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol
PubChem CID65394657
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol
SMILESCC(O)C(C)(CN)Cc1cccs1
InChIInChI=1S/C10H17NOS/c1-8(12)10(2,7-11)6-9-4-3-5-13-9/h3-5,8,12H,6-7,11H2,1-2H3
InChIKeyBRDDDFSPWRCXLQ-UHFFFAOYSA-N
XLogP1.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol?
The IUPAC name of 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol (CID 65394657) is 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol is CC(O)C(C)(CN)Cc1cccs1.
What is the InChIKey of 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol?
The InChIKey is BRDDDFSPWRCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(12)10(2,7-11)6-9-4-3-5-13-9/h3-5,8,12H,6-7,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol?
3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyl-4-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 65394657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).