[5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine

C9H16N2O2S — CID 142419290

IUPAC[5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine
SMILESCCS(O)(OC)c1ccc(CN)nc1
InChIInChI=1S/C9H16N2O2S/c1-3-14(12,13-2)9-5-4-8(6-10)11-7-9/h4-5,7,12H,3,6,10H2,1-2H3
InChIKeyRWPIZSJUGDDIGG-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.76
Rot. Bonds4

About [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine

[5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine (PubChem CID 142419290) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine
PubChem CID142419290
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name[5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine
SMILESCCS(O)(OC)c1ccc(CN)nc1
InChIInChI=1S/C9H16N2O2S/c1-3-14(12,13-2)9-5-4-8(6-10)11-7-9/h4-5,7,12H,3,6,10H2,1-2H3
InChIKeyRWPIZSJUGDDIGG-UHFFFAOYSA-N
XLogP1.76
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 114613324
(5-ethylsulfonyl-2-pyridinyl)methyl carbamate
CID 175147070
(5-methylsulfonyl-2-pyridinyl)methyl carbamate
CID 175103370
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006
3-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-butan-2-ylpropanamide
CID 114613390
[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613052
(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride
CID 170902776
6-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 114613617

Frequently Asked Questions

What is the IUPAC name of [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine (CID 142419290) is [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine is CCS(O)(OC)c1ccc(CN)nc1.
What is the InChIKey of [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine?
The InChIKey is RWPIZSJUGDDIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-14(12,13-2)9-5-4-8(6-10)11-7-9/h4-5,7,12H,3,6,10H2,1-2H3.
What are the key properties of [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine?
[5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine has a molecular weight of 216.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethyl-hydroxy-methoxy-λ4-sulfanyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 142419290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).