3-(2-methylpropylsulfanyl)pyrrolidine

C8H17NS — CID 62329471

IUPAC3-(2-methylpropylsulfanyl)pyrrolidine
SMILESCC(C)CSC1CCNC1
InChIInChI=1S/C8H17NS/c1-7(2)6-10-8-3-4-9-5-8/h7-9H,3-6H2,1-2H3
InChIKeyGAYYCLPYFAKXRU-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds3

About 3-(2-methylpropylsulfanyl)pyrrolidine

3-(2-methylpropylsulfanyl)pyrrolidine (PubChem CID 62329471) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-(2-methylpropylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methylpropylsulfanyl)pyrrolidine
PubChem CID62329471
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-(2-methylpropylsulfanyl)pyrrolidine
SMILESCC(C)CSC1CCNC1
InChIInChI=1S/C8H17NS/c1-7(2)6-10-8-3-4-9-5-8/h7-9H,3-6H2,1-2H3
InChIKeyGAYYCLPYFAKXRU-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylbutylsulfanyl)pyrrolidine
CID 107754752
3-(2-methylpropylsulfanyl)azetidine
CID 62784262
ethane;3-ethylsulfanylpyrrolidine
CID 143798471
(3R)-3-propylsulfanylpyrrolidine
CID 89159387
3-propan-2-ylsulfanylpyrrolidine;hydrochloride
CID 72716432
2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
CID 66229673
(3R)-3-methylsulfanylpyrrolidine
CID 94401655
3-pyrrolidin-3-ylsulfanylpropan-1-ol
CID 66127251
methyl 2-pyrrolidin-3-ylsulfanylacetate
CID 62327248
4-piperidin-3-ylsulfanylbutan-2-amine
CID 66234590
3-[2-[[(2S)-3-amino-4-[(3R)-pyrrolidin-3-yl]sulfanylbutan-2-yl]amino]ethoxy]-3-methylbutan-1-ol
CID 70984807
3-(2-methylpropylsulfanyl)cyclopentan-1-amine
CID 64722454

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfanyl)pyrrolidine?
The IUPAC name of 3-(2-methylpropylsulfanyl)pyrrolidine (CID 62329471) is 3-(2-methylpropylsulfanyl)pyrrolidine.
What is the SMILES notation for 3-(2-methylpropylsulfanyl)pyrrolidine?
The canonical SMILES for 3-(2-methylpropylsulfanyl)pyrrolidine is CC(C)CSC1CCNC1.
What is the InChIKey of 3-(2-methylpropylsulfanyl)pyrrolidine?
The InChIKey is GAYYCLPYFAKXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)6-10-8-3-4-9-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfanyl)pyrrolidine?
3-(2-methylpropylsulfanyl)pyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfanyl)pyrrolidine is sourced from PubChem (CID 62329471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).