(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol

C10H17NOS — CID 96500046

IUPAC(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
SMILESCc1ccc(CNCC[C@@H](C)O)s1
InChIInChI=1S/C10H17NOS/c1-8(12)5-6-11-7-10-4-3-9(2)13-10/h3-4,8,11-12H,5-7H2,1-2H3/t8-/m1/s1
InChIKeyUBHOLFRNMJYGHH-MRVPVSSYSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds5

About (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol

(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol (PubChem CID 96500046) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
PubChem CID96500046
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
SMILESCc1ccc(CNCC[C@@H](C)O)s1
InChIInChI=1S/C10H17NOS/c1-8(12)5-6-11-7-10-4-3-9(2)13-10/h3-4,8,11-12H,5-7H2,1-2H3/t8-/m1/s1
InChIKeyUBHOLFRNMJYGHH-MRVPVSSYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
5-[(3-hydroxybutylamino)methyl]thiophene-2-carboxylic acid
CID 103254166
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 111448862
4-methyl-1-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 103631692
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-(2-methylpropylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62576329
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
CID 64571063
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
CID 62054518

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol?
The IUPAC name of (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol (CID 96500046) is (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol?
The canonical SMILES for (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol is Cc1ccc(CNCC[C@@H](C)O)s1.
What is the InChIKey of (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol?
The InChIKey is UBHOLFRNMJYGHH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(12)5-6-11-7-10-4-3-9(2)13-10/h3-4,8,11-12H,5-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol?
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-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)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 96500046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).