1-(1-aminobutyl)cyclohexane-1-thiol

C10H21NS — CID 22286848

IUPAC1-(1-aminobutyl)cyclohexane-1-thiol
SMILESCCCC(N)C1(S)CCCCC1
InChIInChI=1S/C10H21NS/c1-2-6-9(11)10(12)7-4-3-5-8-10/h9,12H,2-8,11H2,1H3
InChIKeyWBWDQUWIIZBNDK-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.75
Rot. Bonds3

About 1-(1-aminobutyl)cyclohexane-1-thiol

1-(1-aminobutyl)cyclohexane-1-thiol (PubChem CID 22286848) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(1-aminobutyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name1-(1-aminobutyl)cyclohexane-1-thiol
PubChem CID22286848
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(1-aminobutyl)cyclohexane-1-thiol
SMILESCCCC(N)C1(S)CCCCC1
InChIInChI=1S/C10H21NS/c1-2-6-9(11)10(12)7-4-3-5-8-10/h9,12H,2-8,11H2,1H3
InChIKeyWBWDQUWIIZBNDK-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutyl)cyclohexane-1-thiol?
The IUPAC name of 1-(1-aminobutyl)cyclohexane-1-thiol (CID 22286848) is 1-(1-aminobutyl)cyclohexane-1-thiol.
What is the SMILES notation for 1-(1-aminobutyl)cyclohexane-1-thiol?
The canonical SMILES for 1-(1-aminobutyl)cyclohexane-1-thiol is CCCC(N)C1(S)CCCCC1.
What is the InChIKey of 1-(1-aminobutyl)cyclohexane-1-thiol?
The InChIKey is WBWDQUWIIZBNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-6-9(11)10(12)7-4-3-5-8-10/h9,12H,2-8,11H2,1H3.
What are the key properties of 1-(1-aminobutyl)cyclohexane-1-thiol?
1-(1-aminobutyl)cyclohexane-1-thiol has a molecular weight of 187.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutyl)cyclohexane-1-thiol is sourced from PubChem (CID 22286848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).