6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol

C10H23NOS — CID 23615100

IUPAC6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol
SMILESCC(C)(N)CSCCCCCCO
InChIInChI=1S/C10H23NOS/c1-10(2,11)9-13-8-6-4-3-5-7-12/h12H,3-9,11H2,1-2H3
InChIKeyZHIBFHBGJFCAMN-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.01
Rot. Bonds8

About 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol

6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol (PubChem CID 23615100) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol
PubChem CID23615100
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol
SMILESCC(C)(N)CSCCCCCCO
InChIInChI=1S/C10H23NOS/c1-10(2,11)9-13-8-6-4-3-5-7-12/h12H,3-9,11H2,1-2H3
InChIKeyZHIBFHBGJFCAMN-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.01
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 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol?
The IUPAC name of 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol (CID 23615100) is 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol?
The canonical SMILES for 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol is CC(C)(N)CSCCCCCCO.
What is the InChIKey of 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol?
The InChIKey is ZHIBFHBGJFCAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(2,11)9-13-8-6-4-3-5-7-12/h12H,3-9,11H2,1-2H3.
What are the key properties of 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol?
6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol is sourced from PubChem (CID 23615100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).