1-(1-propan-2-ylsulfanylpropyl)pyrrolidine

C10H21NS — CID 89408094

IUPAC1-(1-propan-2-ylsulfanylpropyl)pyrrolidine
SMILESCCC(SC(C)C)N1CCCC1
InChIInChI=1S/C10H21NS/c1-4-10(12-9(2)3)11-7-5-6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyGVPYQDYSYJBCGD-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.96
Rot. Bonds4

About 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine

1-(1-propan-2-ylsulfanylpropyl)pyrrolidine (PubChem CID 89408094) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-propan-2-ylsulfanylpropyl)pyrrolidine
PubChem CID89408094
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(1-propan-2-ylsulfanylpropyl)pyrrolidine
SMILESCCC(SC(C)C)N1CCCC1
InChIInChI=1S/C10H21NS/c1-4-10(12-9(2)3)11-7-5-6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyGVPYQDYSYJBCGD-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine?
The IUPAC name of 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine (CID 89408094) is 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine.
What is the SMILES notation for 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine?
The canonical SMILES for 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine is CCC(SC(C)C)N1CCCC1.
What is the InChIKey of 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine?
The InChIKey is GVPYQDYSYJBCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-10(12-9(2)3)11-7-5-6-8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine?
1-(1-propan-2-ylsulfanylpropyl)pyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylsulfanylpropyl)pyrrolidine is sourced from PubChem (CID 89408094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).