[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol

C13H25NOS2 — CID 89375470

IUPAC[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
SMILESCS(C)(C)C(c1cccc(CO)n1)S(C)(C)C
InChIInChI=1S/C13H25NOS2/c1-16(2,3)13(17(4,5)6)12-9-7-8-11(10-15)14-12/h7-9,13,15H,10H2,1-6H3
InChIKeyAKDNCCHHOOBQRD-UHFFFAOYSA-N
MW275.48 g/mol
LogP2.96
Rot. Bonds4

About [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol

[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol (PubChem CID 89375470) has the molecular formula C13H25NOS2 and a molecular weight of 275.48 g/mol. Its IUPAC name is [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
PubChem CID89375470
Molecular FormulaC13H25NOS2
Molecular Weight275.48 g/mol
Exact Mass275.14
IUPAC Name[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
SMILESCS(C)(C)C(c1cccc(CO)n1)S(C)(C)C
InChIInChI=1S/C13H25NOS2/c1-16(2,3)13(17(4,5)6)12-9-7-8-11(10-15)14-12/h7-9,13,15H,10H2,1-6H3
InChIKeyAKDNCCHHOOBQRD-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
CID 55292733
(6-ethyl-2-pyridinyl)methanol
CID 10749240
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
CID 130649323
2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
CID 171898958
2,6-bis(bromomethyl)pyridine;[6-(hydroxymethyl)-2-pyridinyl]methanol
CID 158197144
[6-[(dimethylamino)methyl]-2-pyridinyl]methanol
CID 15592300
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849

Frequently Asked Questions

What is the IUPAC name of [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol (CID 89375470) is [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol is CS(C)(C)C(c1cccc(CO)n1)S(C)(C)C.
What is the InChIKey of [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol?
The InChIKey is AKDNCCHHOOBQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS2/c1-16(2,3)13(17(4,5)6)12-9-7-8-11(10-15)14-12/h7-9,13,15H,10H2,1-6H3.
What are the key properties of [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol?
[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol has a molecular weight of 275.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 89375470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).