(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol

C7H11NO2S — CID 130738998

IUPAC(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1[C@H](CO)NO
InChIInChI=1S/C7H11NO2S/c1-5-2-3-11-7(5)6(4-9)8-10/h2-3,6,8-10H,4H2,1H3/t6-/m0/s1
InChIKeyISBKJZMMGHAFNL-LURJTMIESA-N
MW173.24 g/mol
LogP1.07
Rot. Bonds3

About (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol

(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol (PubChem CID 130738998) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
PubChem CID130738998
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1[C@H](CO)NO
InChIInChI=1S/C7H11NO2S/c1-5-2-3-11-7(5)6(4-9)8-10/h2-3,6,8-10H,4H2,1H3/t6-/m0/s1
InChIKeyISBKJZMMGHAFNL-LURJTMIESA-N
XLogP1.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 104583335
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol
CID 65378659
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 138016947
2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 103546964
1-(3-methylthiophen-2-yl)pentylhydrazine
CID 105245717
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol (CID 130738998) is (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1[C@H](CO)NO.
What is the InChIKey of (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol?
The InChIKey is ISBKJZMMGHAFNL-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2S/c1-5-2-3-11-7(5)6(4-9)8-10/h2-3,6,8-10H,4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol?
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol has a molecular weight of 173.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 130738998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).