2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol

C10H23NO3S2 — CID 64807333

IUPAC2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
SMILESCC(N)(CO)CCCCSCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(11,9-12)5-3-4-6-15-7-8-16(2,13)14/h12H,3-9,11H2,1-2H3
InChIKeyGZTBEERWPWJSQR-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.64
Rot. Bonds9

About 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol

2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol (PubChem CID 64807333) has the molecular formula C10H23NO3S2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
PubChem CID64807333
Molecular FormulaC10H23NO3S2
Molecular Weight269.43 g/mol
Exact Mass269.11
IUPAC Name2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
SMILESCC(N)(CO)CCCCSCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(11,9-12)5-3-4-6-15-7-8-16(2,13)14/h12H,3-9,11H2,1-2H3
InChIKeyGZTBEERWPWJSQR-UHFFFAOYSA-N
XLogP0.64
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.64
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

2-amino-2-methyl-5-(2-methylsulfonylethylsulfanyl)pentan-1-ol
CID 64808162
2-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 103736336
2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
CID 63660311
2,2-dimethyl-5-(2-methylsulfonylethylsulfanyl)pentanenitrile
CID 65257823
2-(cyclopropylamino)-2-methyl-4-(2-methylsulfonylethylsulfanyl)butan-1-ol
CID 64806077
2-amino-2-methyl-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63658336
2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol
CID 107764728
2-methyl-6-(2-methylsulfonylethylsulfanyl)-2-(propylamino)hexanenitrile
CID 55246230
2-methyl-5-(2-methylsulfonylethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 55246988
2-amino-2-methylhexadecan-1-ol
CID 87201246
2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764817

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol (CID 64807333) is 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol is CC(N)(CO)CCCCSCCS(C)(=O)=O.
What is the InChIKey of 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
The InChIKey is GZTBEERWPWJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S2/c1-10(11,9-12)5-3-4-6-15-7-8-16(2,13)14/h12H,3-9,11H2,1-2H3.
What are the key properties of 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol is sourced from PubChem (CID 64807333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).