(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol

C8H15NO3S — CID 130654150

IUPAC(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol
SMILESC[C@H]1[C@H](O)CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C8H15NO3S/c1-6-8(10)4-5-9(6)13(11,12)7-2-3-7/h6-8,10H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyLBIKEGIAEUTXPK-POYBYMJQSA-N
MW205.28 g/mol
LogP-0.07
Rot. Bonds2

About (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol

(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol (PubChem CID 130654150) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol
PubChem CID130654150
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol
SMILESC[C@H]1[C@H](O)CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C8H15NO3S/c1-6-8(10)4-5-9(6)13(11,12)7-2-3-7/h6-8,10H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyLBIKEGIAEUTXPK-POYBYMJQSA-N
XLogP-0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
CID 130610281
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol
CID 131137856
2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
CID 130979047
1-cyclopropylsulfonyl-2-methylpiperidin-4-amine
CID 115312667
(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
CID 130608836
2-(chloromethyl)-1-cyclopropylsulfonyl-3-methylpyrrolidine
CID 102788585
1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742365
2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
CID 130964385
2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 115312474
(2R,3R)-1-(1-benzoylazetidin-3-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105008
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol?
The IUPAC name of (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol (CID 130654150) is (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol is C[C@H]1[C@H](O)CCN1S(=O)(=O)C1CC1.
What is the InChIKey of (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol?
The InChIKey is LBIKEGIAEUTXPK-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6-8(10)4-5-9(6)13(11,12)7-2-3-7/h6-8,10H,2-5H2,1H3/t6-,8+/m0/s1.
What are the key properties of (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol?
(2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol has a molecular weight of 205.28 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-cyclopropylsulfonyl-2-methylpyrrolidin-3-ol is sourced from PubChem (CID 130654150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).