(3S)-1-methylsulfonyl-3-propylpyrrolidine

C8H17NO2S — CID 57000847

IUPAC(3S)-1-methylsulfonyl-3-propylpyrrolidine
SMILESCCC[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-3-4-8-5-6-9(7-8)12(2,10)11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyVDBYMMKMTZWCAS-QMMMGPOBSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds3

About (3S)-1-methylsulfonyl-3-propylpyrrolidine

(3S)-1-methylsulfonyl-3-propylpyrrolidine (PubChem CID 57000847) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-3-propylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-3-propylpyrrolidine
PubChem CID57000847
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(3S)-1-methylsulfonyl-3-propylpyrrolidine
SMILESCCC[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-3-4-8-5-6-9(7-8)12(2,10)11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyVDBYMMKMTZWCAS-QMMMGPOBSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N,N-bis(2-ethylhexyl)-
CID 533127
(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
CID 140533240
3-(2-Methylpropyl)pyrrolidine-1-sulfonamide
CID 71986318
N-(2-cyclopentylethyl)-N-methylmethanesulfonamide
CID 86804221
(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
CID 95358786
(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine
CID 96602898
3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117878026
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
3,4-Di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
CID 121339923
(3S)-3-ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 144443407
3-Butyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 167110489
1-(Difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine
CID 176666018

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-3-propylpyrrolidine?
The IUPAC name of (3S)-1-methylsulfonyl-3-propylpyrrolidine (CID 57000847) is (3S)-1-methylsulfonyl-3-propylpyrrolidine.
What is the SMILES notation for (3S)-1-methylsulfonyl-3-propylpyrrolidine?
The canonical SMILES for (3S)-1-methylsulfonyl-3-propylpyrrolidine is CCC[C@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-3-propylpyrrolidine?
The InChIKey is VDBYMMKMTZWCAS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-4-8-5-6-9(7-8)12(2,10)11/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-3-propylpyrrolidine?
(3S)-1-methylsulfonyl-3-propylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-3-propylpyrrolidine is sourced from PubChem (CID 57000847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).