1-(1-aminopropyl)cyclohexane-1-thiol

C9H19NS — CID 22286760

IUPAC1-(1-aminopropyl)cyclohexane-1-thiol
SMILESCCC(N)C1(S)CCCCC1
InChIInChI=1S/C9H19NS/c1-2-8(10)9(11)6-4-3-5-7-9/h8,11H,2-7,10H2,1H3
InChIKeyFRSJAKREWHRQOJ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.36
Rot. Bonds2

About 1-(1-aminopropyl)cyclohexane-1-thiol

1-(1-aminopropyl)cyclohexane-1-thiol (PubChem CID 22286760) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-(1-aminopropyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name1-(1-aminopropyl)cyclohexane-1-thiol
PubChem CID22286760
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-(1-aminopropyl)cyclohexane-1-thiol
SMILESCCC(N)C1(S)CCCCC1
InChIInChI=1S/C9H19NS/c1-2-8(10)9(11)6-4-3-5-7-9/h8,11H,2-7,10H2,1H3
InChIKeyFRSJAKREWHRQOJ-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 110733
CID 110733
CID 115665
CID 115665
CID 214023
CID 214023
CID 5325951
CID 5325951
CID 10997046
CID 10997046
CID 15159719
CID 15159719
CID 425326
CID 425326
CID 12878584
CID 12878584
CID 420819
CID 420819
CID 544651
CID 544651
CID 544854
CID 544854
CID 115664
CID 115664

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropyl)cyclohexane-1-thiol?
The IUPAC name of 1-(1-aminopropyl)cyclohexane-1-thiol (CID 22286760) is 1-(1-aminopropyl)cyclohexane-1-thiol.
What is the SMILES notation for 1-(1-aminopropyl)cyclohexane-1-thiol?
The canonical SMILES for 1-(1-aminopropyl)cyclohexane-1-thiol is CCC(N)C1(S)CCCCC1.
What is the InChIKey of 1-(1-aminopropyl)cyclohexane-1-thiol?
The InChIKey is FRSJAKREWHRQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-2-8(10)9(11)6-4-3-5-7-9/h8,11H,2-7,10H2,1H3.
What are the key properties of 1-(1-aminopropyl)cyclohexane-1-thiol?
1-(1-aminopropyl)cyclohexane-1-thiol has a molecular weight of 173.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropyl)cyclohexane-1-thiol is sourced from PubChem (CID 22286760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).