6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol

C12H27NO4S — CID 66001894

IUPAC6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
SMILESCCS(=O)(=O)CCCC(C)(O)CCNCCOC
InChIInChI=1S/C12H27NO4S/c1-4-18(15,16)11-5-6-12(2,14)7-8-13-9-10-17-3/h13-14H,4-11H2,1-3H3
InChIKeyVNIDADMWVFTXBE-UHFFFAOYSA-N
MW281.42 g/mol
LogP0.58
Rot. Bonds11

About 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol

6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol (PubChem CID 66001894) has the molecular formula C12H27NO4S and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol.

Molecular Properties

Compound Name6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
PubChem CID66001894
Molecular FormulaC12H27NO4S
Molecular Weight281.42 g/mol
Exact Mass281.17
IUPAC Name6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
SMILESCCS(=O)(=O)CCCC(C)(O)CCNCCOC
InChIInChI=1S/C12H27NO4S/c1-4-18(15,16)11-5-6-12(2,14)7-8-13-9-10-17-3/h13-14H,4-11H2,1-3H3
InChIKeyVNIDADMWVFTXBE-UHFFFAOYSA-N
XLogP0.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethylamino)-3-methyltridecan-3-ol
CID 66003679
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol
CID 65146333
1-(2-methoxyethylamino)-3-methyl-6-phenylhexan-3-ol
CID 66002686
5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
CID 66039843
7-ethylsulfonyl-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
CID 79607149
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
CID 82721655
N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine
CID 106513199
2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
CID 65097077
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
The IUPAC name of 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol (CID 66001894) is 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol.
What is the SMILES notation for 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
The canonical SMILES for 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol is CCS(=O)(=O)CCCC(C)(O)CCNCCOC.
What is the InChIKey of 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
The InChIKey is VNIDADMWVFTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4S/c1-4-18(15,16)11-5-6-12(2,14)7-8-13-9-10-17-3/h13-14H,4-11H2,1-3H3.
What are the key properties of 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol has a molecular weight of 281.42 g/mol, XLogP of 0.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol is sourced from PubChem (CID 66001894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).