2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide

C11H24N2O3S — CID 79594316

IUPAC2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)16-7-8-17(14,15)13-6-4-11-3-5-12-9-11/h10-13H,3-9H2,1-2H3
InChIKeyOTZVZOBUHDVKIP-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.33
Rot. Bonds8

About 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide

2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide (PubChem CID 79594316) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
PubChem CID79594316
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)16-7-8-17(14,15)13-6-4-11-3-5-12-9-11/h10-13H,3-9H2,1-2H3
InChIKeyOTZVZOBUHDVKIP-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
CID 106013582
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
N-(morpholin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593928
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide?
The IUPAC name of 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide (CID 79594316) is 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide is CC(C)OCCS(=O)(=O)NCCC1CCNC1.
What is the InChIKey of 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide?
The InChIKey is OTZVZOBUHDVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)16-7-8-17(14,15)13-6-4-11-3-5-12-9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide?
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide is sourced from PubChem (CID 79594316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).