3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine

C9H18FNS — CID 84663642

IUPAC3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine
SMILESCC(C)(F)CCSC1CCNC1
InChIInChI=1S/C9H18FNS/c1-9(2,10)4-6-12-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyKFSPSLNSKVVDPD-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.22
Rot. Bonds4

About 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine

3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine (PubChem CID 84663642) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine
PubChem CID84663642
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine
SMILESCC(C)(F)CCSC1CCNC1
InChIInChI=1S/C9H18FNS/c1-9(2,10)4-6-12-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyKFSPSLNSKVVDPD-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isobutylthiazolidine
CID 135445
2-(Pentan-2-yl)-1,3-thiazolidine
CID 218555
5,5-Dimethyl-2-isopropylthiazolidine
CID 15751859
3-(Tert-butylsulfanyl)pyrrolidine
CID 67293940
2-(1-Methylpropyl)thiazolidine
CID 525967
3-[(Methylsulfanyl)methyl]pyrrolidine
CID 23184259
3-Methylsulfanyl-3-(trifluoromethyl)pyrrolidine
CID 135172281
(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 163878814
(2S)-3-fluoro-2-methylsulfanylpyrrolidine
CID 169838408
3-methylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 54927208
3,3,3-trifluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80722297
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723122

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine?
The IUPAC name of 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine (CID 84663642) is 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine.
What is the SMILES notation for 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine?
The canonical SMILES for 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine is CC(C)(F)CCSC1CCNC1.
What is the InChIKey of 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine?
The InChIKey is KFSPSLNSKVVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-9(2,10)4-6-12-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine?
3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine has a molecular weight of 191.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylbutyl)sulfanylpyrrolidine is sourced from PubChem (CID 84663642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).