1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol

C11H22N2O3S — CID 79545900

IUPAC1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-10(14)9-11-5-4-8-13(11)17(15,16)12-6-2-3-7-12/h10-11,14H,2-9H2,1H3
InChIKeyJUSOKNRTOYHFGO-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.56
Rot. Bonds4

About 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol

1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol (PubChem CID 79545900) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
PubChem CID79545900
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-10(14)9-11-5-4-8-13(11)17(15,16)12-6-2-3-7-12/h10-11,14H,2-9H2,1H3
InChIKeyJUSOKNRTOYHFGO-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79547052
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
1-[2-(3-bromopropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 80674653
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101
1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
CID 79594908

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol (CID 79545900) is 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol is CC(O)CC1CCCN1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is JUSOKNRTOYHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(14)9-11-5-4-8-13(11)17(15,16)12-6-2-3-7-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 262.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 79545900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).