1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol

C10H23NOS — CID 165443341

IUPAC1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol
SMILESCSC(C)(C)CC(O)C(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-9(2,7-11)8(12)6-10(3,4)13-5/h8,12H,6-7,11H2,1-5H3
InChIKeyNPMUTMVTNMRPGE-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.86
Rot. Bonds5

About 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol

1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol (PubChem CID 165443341) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol
PubChem CID165443341
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol
SMILESCSC(C)(C)CC(O)C(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-9(2,7-11)8(12)6-10(3,4)13-5/h8,12H,6-7,11H2,1-5H3
InChIKeyNPMUTMVTNMRPGE-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol?
The IUPAC name of 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol (CID 165443341) is 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol.
What is the SMILES notation for 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol?
The canonical SMILES for 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol is CSC(C)(C)CC(O)C(C)(C)CN.
What is the InChIKey of 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol?
The InChIKey is NPMUTMVTNMRPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2,7-11)8(12)6-10(3,4)13-5/h8,12H,6-7,11H2,1-5H3.
What are the key properties of 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol?
1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol has a molecular weight of 205.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol is sourced from PubChem (CID 165443341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).