(2S)-2-(propylsulfanylmethyl)pyrrolidine

C8H17NS — CID 102820309

IUPAC(2S)-2-(propylsulfanylmethyl)pyrrolidine
SMILESCCCSC[C@@H]1CCCN1
InChIInChI=1S/C8H17NS/c1-2-6-10-7-8-4-3-5-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyGPNIKRBQFAFJMY-QMMMGPOBSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds4

About (2S)-2-(propylsulfanylmethyl)pyrrolidine

(2S)-2-(propylsulfanylmethyl)pyrrolidine (PubChem CID 102820309) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (2S)-2-(propylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(propylsulfanylmethyl)pyrrolidine
PubChem CID102820309
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(2S)-2-(propylsulfanylmethyl)pyrrolidine
SMILESCCCSC[C@@H]1CCCN1
InChIInChI=1S/C8H17NS/c1-2-6-10-7-8-4-3-5-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyGPNIKRBQFAFJMY-QMMMGPOBSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(butylsulfanylmethyl)pyrrolidine
CID 102820326
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511742
1-methyl-3-(propylsulfanylmethyl)piperazine
CID 117034417
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
(2S)-2-hexylpyrrolidine
CID 7047826
2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769476
2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine
CID 66227408
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
azane;2-propylpiperidine
CID 156844924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propylsulfanylmethyl)pyrrolidine?
The IUPAC name of (2S)-2-(propylsulfanylmethyl)pyrrolidine (CID 102820309) is (2S)-2-(propylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(propylsulfanylmethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(propylsulfanylmethyl)pyrrolidine is CCCSC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(propylsulfanylmethyl)pyrrolidine?
The InChIKey is GPNIKRBQFAFJMY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-6-10-7-8-4-3-5-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(propylsulfanylmethyl)pyrrolidine?
(2S)-2-(propylsulfanylmethyl)pyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 102820309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).