(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol

C8H17NO3S — CID 130618905

IUPAC(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol
SMILESCCC(C)S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C8H17NO3S/c1-3-7(2)13(11,12)9-5-4-8(10)6-9/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyXYMGNPIDRODUFR-MQWKRIRWSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds3

About (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol

(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 130618905) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol
PubChem CID130618905
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol
SMILESCCC(C)S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C8H17NO3S/c1-3-7(2)13(11,12)9-5-4-8(10)6-9/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyXYMGNPIDRODUFR-MQWKRIRWSA-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

1-Methanesulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-cyclohexylsulfonylpyrrolidin-3-ol
CID 66291304
1-(Pyrrolidine-1-sulfonyl)propan-2-ol
CID 121553608
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol
CID 164634012
(3S,4S)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536487
(3R,4R)-4-fluoro-1-methylsulfonylpyrrolidin-3-ol
CID 122536488
(3R,4R)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267396
(3S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267397
(3R,4R)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 160114144
(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 161168448
1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 83058376
(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 83059847

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol (CID 130618905) is (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol is CCC(C)S(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is XYMGNPIDRODUFR-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-7(2)13(11,12)9-5-4-8(10)6-9/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol?
(3S)-1-butan-2-ylsulfonylpyrrolidin-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 (3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 130618905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).