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

C13H23NOS — CID 103924351

IUPAC(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H23NOS/c1-5-10(9-15)14-8-11-6-7-12(16-11)13(2,3)4/h6-7,10,14-15H,5,8-9H2,1-4H3/t10-/m1/s1
InChIKeyXTCQEFOVOJGXGQ-SNVBAGLBSA-N
MW241.40 g/mol
LogP2.91
Rot. Bonds5

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

(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol (PubChem CID 103924351) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
PubChem CID103924351
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H23NOS/c1-5-10(9-15)14-8-11-6-7-12(16-11)13(2,3)4/h6-7,10,14-15H,5,8-9H2,1-4H3/t10-/m1/s1
InChIKeyXTCQEFOVOJGXGQ-SNVBAGLBSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol
CID 114078796
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol
CID 103816323
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
CID 81495688
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81494861
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
2-[[(5-tert-butylthiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251612

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol (CID 103924351) is (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc(C(C)(C)C)s1.
What is the InChIKey of (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol?
The InChIKey is XTCQEFOVOJGXGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-10(9-15)14-8-11-6-7-12(16-11)13(2,3)4/h6-7,10,14-15H,5,8-9H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol?
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 103924351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).