[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol

C13H21NO4S — CID 104692778

IUPAC[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
SMILESCCC1CCCCCN1S(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C13H21NO4S/c1-2-11-6-4-3-5-9-14(11)19(16,17)13-8-7-12(10-15)18-13/h7-8,11,15H,2-6,9-10H2,1H3
InChIKeyJGMMEPDPEZJHTJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.12
Rot. Bonds4

About [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol

[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol (PubChem CID 104692778) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
PubChem CID104692778
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
SMILESCCC1CCCCCN1S(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C13H21NO4S/c1-2-11-6-4-3-5-9-14(11)19(16,17)13-8-7-12(10-15)18-13/h7-8,11,15H,2-6,9-10H2,1H3
InChIKeyJGMMEPDPEZJHTJ-UHFFFAOYSA-N
XLogP2.12
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 104692777
[5-bromo-4-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
CID 104692787
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
1-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonyl-2-ethylazepane
CID 104692858
[3-bromo-4-(2-ethylazepan-1-yl)sulfonylphenyl]methanol
CID 104692826
4-(2-ethylazepan-1-yl)sulfonyl-2-fluoroaniline
CID 104688737
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
2-ethyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2787058
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
CID 104688760
[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol
CID 115562691

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol?
The IUPAC name of [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol (CID 104692778) is [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol.
What is the SMILES notation for [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol?
The canonical SMILES for [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol is CCC1CCCCCN1S(=O)(=O)c1ccc(CO)o1.
What is the InChIKey of [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol?
The InChIKey is JGMMEPDPEZJHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-2-11-6-4-3-5-9-14(11)19(16,17)13-8-7-12(10-15)18-13/h7-8,11,15H,2-6,9-10H2,1H3.
What are the key properties of [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol?
[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol has a molecular weight of 287.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol is sourced from PubChem (CID 104692778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).