1-(tert-butylsulfanylmethyl)pyrrolidine

C9H19NS — CID 118259816

IUPAC1-(tert-butylsulfanylmethyl)pyrrolidine
SMILESCC(C)(C)SCN1CCCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)11-8-10-6-4-5-7-10/h4-8H2,1-3H3
InChIKeyNWEWGEBAAPEJOT-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.57
Rot. Bonds2

About 1-(tert-butylsulfanylmethyl)pyrrolidine

1-(tert-butylsulfanylmethyl)pyrrolidine (PubChem CID 118259816) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-(tert-butylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(tert-butylsulfanylmethyl)pyrrolidine
PubChem CID118259816
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-(tert-butylsulfanylmethyl)pyrrolidine
SMILESCC(C)(C)SCN1CCCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)11-8-10-6-4-5-7-10/h4-8H2,1-3H3
InChIKeyNWEWGEBAAPEJOT-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butylsulfanylpropyl)piperidine
CID 161387575
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
ethane;1-ethylpyrrolidine;2-methylpropan-2-amine
CID 168977329
S-(pyrrolidin-1-ylmethyl)thiohydroxylamine
CID 23354513
N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine
CID 142009580
1-(2,2-dimethylpropyl)azocane
CID 131007399
1,5-bis(2-hydroxysulfanyl-2-methylpropyl)-1,5-diazocane
CID 100918982
1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
CID 102582052
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
ethane;1-ethylpiperidine
CID 90845344
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911941

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfanylmethyl)pyrrolidine?
The IUPAC name of 1-(tert-butylsulfanylmethyl)pyrrolidine (CID 118259816) is 1-(tert-butylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 1-(tert-butylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 1-(tert-butylsulfanylmethyl)pyrrolidine is CC(C)(C)SCN1CCCC1.
What is the InChIKey of 1-(tert-butylsulfanylmethyl)pyrrolidine?
The InChIKey is NWEWGEBAAPEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)11-8-10-6-4-5-7-10/h4-8H2,1-3H3.
What are the key properties of 1-(tert-butylsulfanylmethyl)pyrrolidine?
1-(tert-butylsulfanylmethyl)pyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 118259816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).