[5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane

C13H21NO3S — CID 142599240

IUPAC[5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane
SMILESCS(O)(O)c1ccc(OCC2CCCCC2)cn1
InChIInChI=1S/C13H21NO3S/c1-18(15,16)13-8-7-12(9-14-13)17-10-11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3
InChIKeyNDCQKJLIMZVTAM-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.78
Rot. Bonds4

About [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane

[5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane (PubChem CID 142599240) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane.

Molecular Properties

Compound Name[5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane
PubChem CID142599240
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name[5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane
SMILESCS(O)(O)c1ccc(OCC2CCCCC2)cn1
InChIInChI=1S/C13H21NO3S/c1-18(15,16)13-8-7-12(9-14-13)17-10-11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3
InChIKeyNDCQKJLIMZVTAM-UHFFFAOYSA-N
XLogP3.78
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclohexylmethoxy)pyridine-2-carbonitrile
CID 115487982
5-(cycloheptylmethoxy)pyridine-2-carbothioamide
CID 114248397
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
CID 83123383
1-[5-(cyclopentylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584937
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
cyclohexylmethoxybenzene
CID 14399287
5-(cyclopropylmethoxy)-2-fluoropyridine
CID 10797160
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
4-(cyclopentylmethoxy)benzenesulfonyl chloride
CID 61343179
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane?
The IUPAC name of [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane (CID 142599240) is [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane.
What is the SMILES notation for [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane?
The canonical SMILES for [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane is CS(O)(O)c1ccc(OCC2CCCCC2)cn1.
What is the InChIKey of [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane?
The InChIKey is NDCQKJLIMZVTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-18(15,16)13-8-7-12(9-14-13)17-10-11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3.
What are the key properties of [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane?
[5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane has a molecular weight of 271.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane is sourced from PubChem (CID 142599240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).