(2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol

C10H17NOS — CID 964898

IUPAC(2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(C)s1
InChIInChI=1S/C10H17NOS/c1-3-9(7-12)11-6-10-5-4-8(2)13-10/h4-5,9,11-12H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyADXRTVOBINTIFG-SECBINFHSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds5

About (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol

(2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol (PubChem CID 964898) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol
PubChem CID964898
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(C)s1
InChIInChI=1S/C10H17NOS/c1-3-9(7-12)11-6-10-5-4-8(2)13-10/h4-5,9,11-12H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyADXRTVOBINTIFG-SECBINFHSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol (CID 964898) is (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc(C)s1.
What is the InChIKey of (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol?
The InChIKey is ADXRTVOBINTIFG-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-9(7-12)11-6-10-5-4-8(2)13-10/h4-5,9,11-12H,3,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol?
(2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methylthiophen-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 964898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).