N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

C16H31N3O2S — CID 166150782

IUPACN-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2
InChIInChI=1S/C16H31N3O2S/c1-2-22(20,21)18-10-14-3-6-16(7-4-14)12-19(13-16)11-15-5-8-17-9-15/h14-15,17-18H,2-13H2,1H3/t15-/m1/s1
InChIKeyQKWRMSSQZZBFQD-OAHLLOKOSA-N
MW329.51 g/mol
LogP1.03
Rot. Bonds6

About N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (PubChem CID 166150782) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
PubChem CID166150782
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC NameN-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2
InChIInChI=1S/C16H31N3O2S/c1-2-22(20,21)18-10-14-3-6-16(7-4-14)12-19(13-16)11-15-5-8-17-9-15/h14-15,17-18H,2-13H2,1H3/t15-/m1/s1
InChIKeyQKWRMSSQZZBFQD-OAHLLOKOSA-N
XLogP1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (CID 166150782) is N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2.
What is the InChIKey of N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The InChIKey is QKWRMSSQZZBFQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-2-22(20,21)18-10-14-3-6-16(7-4-14)12-19(13-16)11-15-5-8-17-9-15/h14-15,17-18H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide has a molecular weight of 329.51 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 166150782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).