(2S)-2-amino-6-methylsulfanylhexan-1-ol

C7H17NOS — CID 56625698

IUPAC(2S)-2-amino-6-methylsulfanylhexan-1-ol
SMILESCSCCCC[C@H](N)CO
InChIInChI=1S/C7H17NOS/c1-10-5-3-2-4-7(8)6-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyAHNDQFPGHIOTQK-ZETCQYMHSA-N
MW163.29 g/mol
LogP0.84
Rot. Bonds6

About (2S)-2-amino-6-methylsulfanylhexan-1-ol

(2S)-2-amino-6-methylsulfanylhexan-1-ol (PubChem CID 56625698) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is (2S)-2-amino-6-methylsulfanylhexan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-6-methylsulfanylhexan-1-ol
PubChem CID56625698
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-amino-6-methylsulfanylhexan-1-ol
SMILESCSCCCC[C@H](N)CO
InChIInChI=1S/C7H17NOS/c1-10-5-3-2-4-7(8)6-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyAHNDQFPGHIOTQK-ZETCQYMHSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-methylsulfanylhexan-1-ol?
The IUPAC name of (2S)-2-amino-6-methylsulfanylhexan-1-ol (CID 56625698) is (2S)-2-amino-6-methylsulfanylhexan-1-ol.
What is the SMILES notation for (2S)-2-amino-6-methylsulfanylhexan-1-ol?
The canonical SMILES for (2S)-2-amino-6-methylsulfanylhexan-1-ol is CSCCCC[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-6-methylsulfanylhexan-1-ol?
The InChIKey is AHNDQFPGHIOTQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NOS/c1-10-5-3-2-4-7(8)6-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-6-methylsulfanylhexan-1-ol?
(2S)-2-amino-6-methylsulfanylhexan-1-ol has a molecular weight of 163.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-methylsulfanylhexan-1-ol is sourced from PubChem (CID 56625698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).