5-(aminomethylsulfanyl)pentan-1-ol

C6H15NOS — CID 163537686

IUPAC5-(aminomethylsulfanyl)pentan-1-ol
SMILESNCSCCCCCO
InChIInChI=1S/C6H15NOS/c7-6-9-5-3-1-2-4-8/h8H,1-7H2
InChIKeyDYKCWISRCDTFGT-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.80
Rot. Bonds6

About 5-(aminomethylsulfanyl)pentan-1-ol

5-(aminomethylsulfanyl)pentan-1-ol (PubChem CID 163537686) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 5-(aminomethylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name5-(aminomethylsulfanyl)pentan-1-ol
PubChem CID163537686
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name5-(aminomethylsulfanyl)pentan-1-ol
SMILESNCSCCCCCO
InChIInChI=1S/C6H15NOS/c7-6-9-5-3-1-2-4-8/h8H,1-7H2
InChIKeyDYKCWISRCDTFGT-UHFFFAOYSA-N
XLogP0.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(Aminomethylsulfanyl)propane-1,3-diol
CID 57274545
3-(Aminomethylsulfanyl)propan-1-ol
CID 122546605
5-(2-Aminoethylsulfanyl)pentan-1-ol
CID 62229030

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethylsulfanyl)pentan-1-ol?
The IUPAC name of 5-(aminomethylsulfanyl)pentan-1-ol (CID 163537686) is 5-(aminomethylsulfanyl)pentan-1-ol.
What is the SMILES notation for 5-(aminomethylsulfanyl)pentan-1-ol?
The canonical SMILES for 5-(aminomethylsulfanyl)pentan-1-ol is NCSCCCCCO.
What is the InChIKey of 5-(aminomethylsulfanyl)pentan-1-ol?
The InChIKey is DYKCWISRCDTFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c7-6-9-5-3-1-2-4-8/h8H,1-7H2.
What are the key properties of 5-(aminomethylsulfanyl)pentan-1-ol?
5-(aminomethylsulfanyl)pentan-1-ol has a molecular weight of 149.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethylsulfanyl)pentan-1-ol is sourced from PubChem (CID 163537686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).