5-pyrrolidin-1-ylpentane-2-thiol

C9H19NS — CID 23362348

IUPAC5-pyrrolidin-1-ylpentane-2-thiol
SMILESCC(S)CCCN1CCCC1
InChIInChI=1S/C9H19NS/c1-9(11)5-4-8-10-6-2-3-7-10/h9,11H,2-8H2,1H3
InChIKeyGICOJKKCWSQVBN-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.18
Rot. Bonds4

About 5-pyrrolidin-1-ylpentane-2-thiol

5-pyrrolidin-1-ylpentane-2-thiol (PubChem CID 23362348) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylpentane-2-thiol.

Molecular Properties

Compound Name5-pyrrolidin-1-ylpentane-2-thiol
PubChem CID23362348
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name5-pyrrolidin-1-ylpentane-2-thiol
SMILESCC(S)CCCN1CCCC1
InChIInChI=1S/C9H19NS/c1-9(11)5-4-8-10-6-2-3-7-10/h9,11H,2-8H2,1H3
InChIKeyGICOJKKCWSQVBN-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.18
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

[(2S)-1-ethylpyrrolidin-2-yl]methanethiol
CID 45088079
Trimethyl(5-sulfanylpentyl)azanium
CID 85687504
(1S)-1-[(2S,4R)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]ethanethiol
CID 173844913
1-[(3R,5R)-5-[(dimethylamino)methyl]dithiolan-3-yl]-N,N-dimethylmethanamine
CID 76315967
1-[(3S,5R)-5-[(dimethylamino)methyl]dithiolan-3-yl]-N,N-dimethylmethanamine
CID 76334143
1-(Pyrrolidin-1-yl)pentane-1-thione
CID 45118449
2-(Dihexylamino)ethane-1-thiol
CID 4083636
[(2S)-1-methylpyrrolidin-2-yl]methanethiol
CID 10866373
6-(Dimethylamino)hexane-1-thiol
CID 12947130
1-Methylpyrrolidine-3-thiol
CID 13726421
(3S)-1-methylpyrrolidine-3-thiol
CID 13726423
1-Methylpyrrolidine-2-thiol
CID 13879871

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylpentane-2-thiol?
The IUPAC name of 5-pyrrolidin-1-ylpentane-2-thiol (CID 23362348) is 5-pyrrolidin-1-ylpentane-2-thiol.
What is the SMILES notation for 5-pyrrolidin-1-ylpentane-2-thiol?
The canonical SMILES for 5-pyrrolidin-1-ylpentane-2-thiol is CC(S)CCCN1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-ylpentane-2-thiol?
The InChIKey is GICOJKKCWSQVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(11)5-4-8-10-6-2-3-7-10/h9,11H,2-8H2,1H3.
What are the key properties of 5-pyrrolidin-1-ylpentane-2-thiol?
5-pyrrolidin-1-ylpentane-2-thiol has a molecular weight of 173.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylpentane-2-thiol is sourced from PubChem (CID 23362348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).