propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate

C10H19NO2S — CID 123731461

IUPACpropan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate
SMILESCSC1(C)CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)13-9(12)11-6-5-10(3,7-11)14-4/h8H,5-7H2,1-4H3
InChIKeyUTYFMSKOSOAUBW-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.36
Rot. Bonds2

About propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate

propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate (PubChem CID 123731461) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate
PubChem CID123731461
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namepropan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate
SMILESCSC1(C)CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)13-9(12)11-6-5-10(3,7-11)14-4/h8H,5-7H2,1-4H3
InChIKeyUTYFMSKOSOAUBW-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;propan-2-yl 3-cyano-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 177326225
propan-2-yl 4,4-diethylpiperidine-1-carboxylate
CID 116655860
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
propan-2-yl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 79410861
propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
CID 106668534
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate
CID 139305109
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
4-O-tert-butyl 1-O-propan-2-yl piperazine-1,4-dicarboxylate;formic acid
CID 142002254
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate (CID 123731461) is propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate is CSC1(C)CCN(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate?
The InChIKey is UTYFMSKOSOAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)13-9(12)11-6-5-10(3,7-11)14-4/h8H,5-7H2,1-4H3.
What are the key properties of propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate?
propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-methyl-3-methylsulfanylpyrrolidine-1-carboxylate is sourced from PubChem (CID 123731461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).