1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol

C11H19NOS — CID 65190352

IUPAC1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
SMILESCCC(C)C(O)C(CN)c1cccs1
InChIInChI=1S/C11H19NOS/c1-3-8(2)11(13)9(7-12)10-5-4-6-14-10/h4-6,8-9,11,13H,3,7,12H2,1-2H3
InChIKeyJVLRDUFNZNPXBO-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.20
Rot. Bonds5

About 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol

1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol (PubChem CID 65190352) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
PubChem CID65190352
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
SMILESCCC(C)C(O)C(CN)c1cccs1
InChIInChI=1S/C11H19NOS/c1-3-8(2)11(13)9(7-12)10-5-4-6-14-10/h4-6,8-9,11,13H,3,7,12H2,1-2H3
InChIKeyJVLRDUFNZNPXBO-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
CID 65190040
3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190142
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
CID 82819024
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol
CID 114459269
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
ethyl 2-hydroxy-2-thiophen-2-ylethanimidate
CID 12962603

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol?
The IUPAC name of 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol (CID 65190352) is 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol is CCC(C)C(O)C(CN)c1cccs1.
What is the InChIKey of 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol?
The InChIKey is JVLRDUFNZNPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-8(2)11(13)9(7-12)10-5-4-6-14-10/h4-6,8-9,11,13H,3,7,12H2,1-2H3.
What are the key properties of 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol?
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol has a molecular weight of 213.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 65190352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).