3-(2-methylbutylsulfanyl)pyrrolidine

C9H19NS — CID 107754752

IUPAC3-(2-methylbutylsulfanyl)pyrrolidine
SMILESCCC(C)CSC1CCNC1
InChIInChI=1S/C9H19NS/c1-3-8(2)7-11-9-4-5-10-6-9/h8-10H,3-7H2,1-2H3
InChIKeyVXCDOBKBTVBJJF-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds4

About 3-(2-methylbutylsulfanyl)pyrrolidine

3-(2-methylbutylsulfanyl)pyrrolidine (PubChem CID 107754752) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(2-methylbutylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methylbutylsulfanyl)pyrrolidine
PubChem CID107754752
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(2-methylbutylsulfanyl)pyrrolidine
SMILESCCC(C)CSC1CCNC1
InChIInChI=1S/C9H19NS/c1-3-8(2)7-11-9-4-5-10-6-9/h8-10H,3-7H2,1-2H3
InChIKeyVXCDOBKBTVBJJF-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropylsulfanyl)pyrrolidine
CID 62329471
ethane;3-ethylsulfanylpyrrolidine
CID 143798471
(3R)-3-propylsulfanylpyrrolidine
CID 89159387
1-(2-methylbutylsulfanyl)-3-propylcyclohexane
CID 137410495
3-propan-2-ylsulfanylpyrrolidine;hydrochloride
CID 72716432
3-(2-methylpropylsulfanyl)azetidine
CID 62784262
2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
CID 66229673
(3R)-3-methylsulfanylpyrrolidine
CID 94401655
3-pyrrolidin-3-ylsulfanylpropan-1-ol
CID 66127251
N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
CID 114628753
3-(2-methylbutylsulfanyl)cyclohexan-1-one
CID 107752714
3-[2-[[(2S)-3-amino-4-[(3R)-pyrrolidin-3-yl]sulfanylbutan-2-yl]amino]ethoxy]-3-methylbutan-1-ol
CID 70984807

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutylsulfanyl)pyrrolidine?
The IUPAC name of 3-(2-methylbutylsulfanyl)pyrrolidine (CID 107754752) is 3-(2-methylbutylsulfanyl)pyrrolidine.
What is the SMILES notation for 3-(2-methylbutylsulfanyl)pyrrolidine?
The canonical SMILES for 3-(2-methylbutylsulfanyl)pyrrolidine is CCC(C)CSC1CCNC1.
What is the InChIKey of 3-(2-methylbutylsulfanyl)pyrrolidine?
The InChIKey is VXCDOBKBTVBJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-8(2)7-11-9-4-5-10-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylbutylsulfanyl)pyrrolidine?
3-(2-methylbutylsulfanyl)pyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutylsulfanyl)pyrrolidine is sourced from PubChem (CID 107754752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).