1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol

C9H17NO4S — CID 63247301

IUPAC1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CC1CCCO1)N1CCC(O)C1
InChIInChI=1S/C9H17NO4S/c11-8-3-4-10(6-8)15(12,13)7-9-2-1-5-14-9/h8-9,11H,1-7H2
InChIKeySUOHMFJZLNUIEK-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.44
Rot. Bonds3

About 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol

1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol (PubChem CID 63247301) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
PubChem CID63247301
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CC1CCCO1)N1CCC(O)C1
InChIInChI=1S/C9H17NO4S/c11-8-3-4-10(6-8)15(12,13)7-9-2-1-5-14-9/h8-9,11H,1-7H2
InChIKeySUOHMFJZLNUIEK-UHFFFAOYSA-N
XLogP-0.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
CID 63877001
4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
CID 79674681
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
2-[1-(oxolan-2-ylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617242
3-methyl-1-(oxan-2-ylmethylsulfonyl)piperidin-4-amine
CID 119983951

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol (CID 63247301) is 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol is O=S(=O)(CC1CCCO1)N1CCC(O)C1.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is SUOHMFJZLNUIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-8-3-4-10(6-8)15(12,13)7-9-2-1-5-14-9/h8-9,11H,1-7H2.
What are the key properties of 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol?
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 235.30 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 63247301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).