1-aminoundecane-6-thiol

C11H25NS — CID 175712027

IUPAC1-aminoundecane-6-thiol
SMILESCCCCCC(S)CCCCCN
InChIInChI=1S/C11H25NS/c1-2-3-5-8-11(13)9-6-4-7-10-12/h11,13H,2-10,12H2,1H3
InChIKeyUQNLVGUEFBBCIB-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.38
Rot. Bonds9

About 1-aminoundecane-6-thiol

1-aminoundecane-6-thiol (PubChem CID 175712027) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 1-aminoundecane-6-thiol.

Molecular Properties

Compound Name1-aminoundecane-6-thiol
PubChem CID175712027
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name1-aminoundecane-6-thiol
SMILESCCCCCC(S)CCCCCN
InChIInChI=1S/C11H25NS/c1-2-3-5-8-11(13)9-6-4-7-10-12/h11,13H,2-10,12H2,1H3
InChIKeyUQNLVGUEFBBCIB-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-aminooctacosane-10-thiol
CID 123711859
dodecane-6-thiol
CID 18757094
1-aminotetradecane-2-thiol
CID 151563194
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011
undecane-1,6-diamine
CID 18419788
5-hexyldodecan-1-amine
CID 129015386
9,10-dioctylhenicosan-1-amine
CID 123803716
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736

Frequently Asked Questions

What is the IUPAC name of 1-aminoundecane-6-thiol?
The IUPAC name of 1-aminoundecane-6-thiol (CID 175712027) is 1-aminoundecane-6-thiol.
What is the SMILES notation for 1-aminoundecane-6-thiol?
The canonical SMILES for 1-aminoundecane-6-thiol is CCCCCC(S)CCCCCN.
What is the InChIKey of 1-aminoundecane-6-thiol?
The InChIKey is UQNLVGUEFBBCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-2-3-5-8-11(13)9-6-4-7-10-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 1-aminoundecane-6-thiol?
1-aminoundecane-6-thiol has a molecular weight of 203.39 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoundecane-6-thiol is sourced from PubChem (CID 175712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).