N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide

C15H29N3O3S — CID 166150752

IUPACN-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COC2(CCN(C[C@@H]3CCNC3)CC2)C1
InChIInChI=1S/C15H29N3O3S/c1-2-22(19,20)17-14-9-15(21-12-14)4-7-18(8-5-15)11-13-3-6-16-10-13/h13-14,16-17H,2-12H2,1H3/t13-,14?/m1/s1
InChIKeyLDKWLIQASNABAI-KWCCSABGSA-N
MW331.48 g/mol
LogP0.16
Rot. Bonds5

About N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide

N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide (PubChem CID 166150752) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide
PubChem CID166150752
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COC2(CCN(C[C@@H]3CCNC3)CC2)C1
InChIInChI=1S/C15H29N3O3S/c1-2-22(19,20)17-14-9-15(21-12-14)4-7-18(8-5-15)11-13-3-6-16-10-13/h13-14,16-17H,2-12H2,1H3/t13-,14?/m1/s1
InChIKeyLDKWLIQASNABAI-KWCCSABGSA-N
XLogP0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide?
The IUPAC name of N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide (CID 166150752) is N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide?
The canonical SMILES for N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1COC2(CCN(C[C@@H]3CCNC3)CC2)C1.
What is the InChIKey of N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide?
The InChIKey is LDKWLIQASNABAI-KWCCSABGSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-2-22(19,20)17-14-9-15(21-12-14)4-7-18(8-5-15)11-13-3-6-16-10-13/h13-14,16-17H,2-12H2,1H3/t13-,14?/m1/s1.
What are the key properties of N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide?
N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[[(3R)-pyrrolidin-3-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanesulfonamide is sourced from PubChem (CID 166150752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).