1,3-dimethyl-4-propylsulfanylpyrrolidine

C9H19NS — CID 143486623

IUPAC1,3-dimethyl-4-propylsulfanylpyrrolidine
SMILESCCCSC1CN(C)CC1C
InChIInChI=1S/C9H19NS/c1-4-5-11-9-7-10(3)6-8(9)2/h8-9H,4-7H2,1-3H3
InChIKeyMGUZXOKEHMHYJV-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds3

About 1,3-dimethyl-4-propylsulfanylpyrrolidine

1,3-dimethyl-4-propylsulfanylpyrrolidine (PubChem CID 143486623) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-propylsulfanylpyrrolidine.

Molecular Properties

Compound Name1,3-dimethyl-4-propylsulfanylpyrrolidine
PubChem CID143486623
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1,3-dimethyl-4-propylsulfanylpyrrolidine
SMILESCCCSC1CN(C)CC1C
InChIInChI=1S/C9H19NS/c1-4-5-11-9-7-10(3)6-8(9)2/h8-9H,4-7H2,1-3H3
InChIKeyMGUZXOKEHMHYJV-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 91439838
1-[3-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806339
1-[2-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806519
3-Fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine
CID 130685001
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757
3-Butyl-2-propyl-1,3-thiazolidine
CID 13356758
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
3-Butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 18185948
1-Methyl-3-propylsulfanylpyrrolidine
CID 18722954
3-Butylsulfanyl-1-methylpyrrolidine
CID 18723137

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propylsulfanylpyrrolidine?
The IUPAC name of 1,3-dimethyl-4-propylsulfanylpyrrolidine (CID 143486623) is 1,3-dimethyl-4-propylsulfanylpyrrolidine.
What is the SMILES notation for 1,3-dimethyl-4-propylsulfanylpyrrolidine?
The canonical SMILES for 1,3-dimethyl-4-propylsulfanylpyrrolidine is CCCSC1CN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-4-propylsulfanylpyrrolidine?
The InChIKey is MGUZXOKEHMHYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-11-9-7-10(3)6-8(9)2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-propylsulfanylpyrrolidine?
1,3-dimethyl-4-propylsulfanylpyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propylsulfanylpyrrolidine is sourced from PubChem (CID 143486623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).