1-(3-methylsulfinylpropyl)pyrrolidine

C8H17NOS — CID 154648174

IUPAC1-(3-methylsulfinylpropyl)pyrrolidine
SMILESCS(=O)CCCN1CCCC1
InChIInChI=1S/C8H17NOS/c1-11(10)8-4-7-9-5-2-3-6-9/h2-8H2,1H3
InChIKeyDIKIRDHKNVUBDV-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds4

About 1-(3-methylsulfinylpropyl)pyrrolidine

1-(3-methylsulfinylpropyl)pyrrolidine (PubChem CID 154648174) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(3-methylsulfinylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylsulfinylpropyl)pyrrolidine
PubChem CID154648174
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-(3-methylsulfinylpropyl)pyrrolidine
SMILESCS(=O)CCCN1CCCC1
InChIInChI=1S/C8H17NOS/c1-11(10)8-4-7-9-5-2-3-6-9/h2-8H2,1H3
InChIKeyDIKIRDHKNVUBDV-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylsulfinylethyl)piperidine
CID 66695248
1-(3-methylsulfinylpropyl)-1,4-diazepane
CID 84672724
2-(3-methylsulfinylpropyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 113488312
1-(2-methylsulfinylethyl)-1,4-diazepane
CID 84662880
1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
CID 81189963
3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid
CID 61494245
acetic acid;1-dodecylpyrrolidine
CID 175583827
3-methyl-1-(2-methylsulfinylethyl)piperidine
CID 170021335
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
acetic acid;1-nonylpiperidine
CID 175874764
3-pyrrolidin-1-ylpropyl sulfite
CID 174785148

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfinylpropyl)pyrrolidine?
The IUPAC name of 1-(3-methylsulfinylpropyl)pyrrolidine (CID 154648174) is 1-(3-methylsulfinylpropyl)pyrrolidine.
What is the SMILES notation for 1-(3-methylsulfinylpropyl)pyrrolidine?
The canonical SMILES for 1-(3-methylsulfinylpropyl)pyrrolidine is CS(=O)CCCN1CCCC1.
What is the InChIKey of 1-(3-methylsulfinylpropyl)pyrrolidine?
The InChIKey is DIKIRDHKNVUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11(10)8-4-7-9-5-2-3-6-9/h2-8H2,1H3.
What are the key properties of 1-(3-methylsulfinylpropyl)pyrrolidine?
1-(3-methylsulfinylpropyl)pyrrolidine has a molecular weight of 175.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfinylpropyl)pyrrolidine is sourced from PubChem (CID 154648174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).