1-(2-methylpropylsulfinyl)pyrrolidine

C8H17NOS — CID 58641916

IUPAC1-(2-methylpropylsulfinyl)pyrrolidine
SMILESCC(C)CS(=O)N1CCCC1
InChIInChI=1S/C8H17NOS/c1-8(2)7-11(10)9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyRLGCCPHCRYOTAT-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.40
Rot. Bonds3

About 1-(2-methylpropylsulfinyl)pyrrolidine

1-(2-methylpropylsulfinyl)pyrrolidine (PubChem CID 58641916) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(2-methylpropylsulfinyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylpropylsulfinyl)pyrrolidine
PubChem CID58641916
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-(2-methylpropylsulfinyl)pyrrolidine
SMILESCC(C)CS(=O)N1CCCC1
InChIInChI=1S/C8H17NOS/c1-8(2)7-11(10)9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyRLGCCPHCRYOTAT-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfinyl)pyrrolidine?
The IUPAC name of 1-(2-methylpropylsulfinyl)pyrrolidine (CID 58641916) is 1-(2-methylpropylsulfinyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylpropylsulfinyl)pyrrolidine?
The canonical SMILES for 1-(2-methylpropylsulfinyl)pyrrolidine is CC(C)CS(=O)N1CCCC1.
What is the InChIKey of 1-(2-methylpropylsulfinyl)pyrrolidine?
The InChIKey is RLGCCPHCRYOTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2)7-11(10)9-5-3-4-6-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfinyl)pyrrolidine?
1-(2-methylpropylsulfinyl)pyrrolidine has a molecular weight of 175.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfinyl)pyrrolidine is sourced from PubChem (CID 58641916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).