1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol

C8H15NO3S — CID 103871430

IUPAC1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H15NO3S/c1-8(10)4-5-9(6-8)13(11,12)7-2-3-7/h7,10H,2-6H2,1H3
InChIKeyVPQYDTPORUAXSW-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.06
Rot. Bonds2

About 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol

1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103871430) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103871430
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H15NO3S/c1-8(10)4-5-9(6-8)13(11,12)7-2-3-7/h7,10H,2-6H2,1H3
InChIKeyVPQYDTPORUAXSW-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
3-Methyl-1-methylsulfonylpyrrolidin-3-ol
CID 103871484
3-Methyl-1-(1-methylsulfanylcyclopropyl)sulfonylpyrrolidin-3-ol
CID 156349899
1-(1-Tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 160885035
1-[(1-Methylcyclopropyl)methylsulfonyl]pyrrolidin-3-ol
CID 163670901
1-(Cyclopropylmethylsulfonyl)pyrrolidin-3-ol
CID 64987623
(3R)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol
CID 66291604
(3R*,4R*)-1-(cyclopropylsulfonyl)-3-isopropyl-4-methyl-3-pyrrolidinol
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(3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol
CID 79030817
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol (CID 103871430) is 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is VPQYDTPORUAXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-8(10)4-5-9(6-8)13(11,12)7-2-3-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol?
1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 205.28 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).