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

C12H24N2O3S — CID 79545984

IUPAC1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-11(15)10-12-6-5-9-14(12)18(16,17)13-7-3-2-4-8-13/h11-12,15H,2-10H2,1H3
InChIKeySXGUORXKVOCOBE-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.95
Rot. Bonds4

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

1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol (PubChem CID 79545984) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
PubChem CID79545984
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
SMILESCC(O)CC1CCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-11(15)10-12-6-5-9-14(12)18(16,17)13-7-3-2-4-8-13/h11-12,15H,2-10H2,1H3
InChIKeySXGUORXKVOCOBE-UHFFFAOYSA-N
XLogP0.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
[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
methyl N-[2-(2-hydroxypropyl)azepan-1-yl]sulfonylcarbamate
CID 114464433
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol (CID 79545984) is 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol is CC(O)CC1CCCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is SXGUORXKVOCOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(15)10-12-6-5-9-14(12)18(16,17)13-7-3-2-4-8-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol?
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 276.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 79545984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).