(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol

C8H17NO3S — CID 130610281

IUPAC(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
SMILESCCCS(=O)(=O)N1CC[C@@H](O)[C@@H]1C
InChIInChI=1S/C8H17NO3S/c1-3-6-13(11,12)9-5-4-8(10)7(9)2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyIXBZJZOWTLAQCC-JGVFFNPUSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds3

About (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol

(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol (PubChem CID 130610281) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
PubChem CID130610281
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
SMILESCCCS(=O)(=O)N1CC[C@@H](O)[C@@H]1C
InChIInChI=1S/C8H17NO3S/c1-3-6-13(11,12)9-5-4-8(10)7(9)2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyIXBZJZOWTLAQCC-JGVFFNPUSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol
CID 130654150
1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol
CID 131137856
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
CID 114422080
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
CID 130964385
2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
CID 130979047
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
2-cyclohexyl-1-propylsulfonylpyrrolidine
CID 61384313

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol (CID 130610281) is (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol is CCCS(=O)(=O)N1CC[C@@H](O)[C@@H]1C.
What is the InChIKey of (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol?
The InChIKey is IXBZJZOWTLAQCC-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-6-13(11,12)9-5-4-8(10)7(9)2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol?
(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 130610281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).