1-pyrrolidin-1-ylpropane-1-thiol

C7H15NS — CID 154223827

IUPAC1-pyrrolidin-1-ylpropane-1-thiol
SMILESCCC(S)N1CCCC1
InChIInChI=1S/C7H15NS/c1-2-7(9)8-5-3-4-6-8/h7,9H,2-6H2,1H3
InChIKeyKSYOLTAKHNAZDJ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.75
Rot. Bonds2

About 1-pyrrolidin-1-ylpropane-1-thiol

1-pyrrolidin-1-ylpropane-1-thiol (PubChem CID 154223827) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropane-1-thiol.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropane-1-thiol
PubChem CID154223827
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-pyrrolidin-1-ylpropane-1-thiol
SMILESCCC(S)N1CCCC1
InChIInChI=1S/C7H15NS/c1-2-7(9)8-5-3-4-6-8/h7,9H,2-6H2,1H3
InChIKeyKSYOLTAKHNAZDJ-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-1-ylhexane-1-thiol
CID 135368476
1-(1-fluoropropyl)piperidine
CID 68907718
1-pent-1-yn-3-ylpyrrolidine
CID 90908432
2-methyl-1-piperidin-1-ylbutan-1-amine
CID 54574493
2-(azepan-1-yl)pentan-3-amine
CID 16789073
1-pentan-3-yl-1,6-azagallecane
CID 173385251
2-(azocan-1-yl)butanoic acid
CID 43808973
1-piperidin-1-yl-2-sulfanylbutan-1-one
CID 131177063
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
3-pyrrolidin-1-ylbutane-1-thiol
CID 23362416
(3S,4S)-2,5-dimethyl-4-pyrrolidin-1-ylhexane-3-thiol
CID 135845077
1-(1-chlorobutyl)pyrrolidine
CID 157280241

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropane-1-thiol?
The IUPAC name of 1-pyrrolidin-1-ylpropane-1-thiol (CID 154223827) is 1-pyrrolidin-1-ylpropane-1-thiol.
What is the SMILES notation for 1-pyrrolidin-1-ylpropane-1-thiol?
The canonical SMILES for 1-pyrrolidin-1-ylpropane-1-thiol is CCC(S)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylpropane-1-thiol?
The InChIKey is KSYOLTAKHNAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-7(9)8-5-3-4-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylpropane-1-thiol?
1-pyrrolidin-1-ylpropane-1-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropane-1-thiol is sourced from PubChem (CID 154223827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).