N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide

C14H27N3O2S — CID 166150611

IUPACN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C14H27N3O2S/c1-20(18,19)16-13-2-5-14(6-3-13)10-17(11-14)9-12-4-7-15-8-12/h12-13,15-16H,2-11H2,1H3/t12-/m0/s1
InChIKeyIPCSNJOIOBUHCD-LBPRGKRZSA-N
MW301.46 g/mol
LogP0.39
Rot. Bonds4

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

N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide (PubChem CID 166150611) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
PubChem CID166150611
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C14H27N3O2S/c1-20(18,19)16-13-2-5-14(6-3-13)10-17(11-14)9-12-4-7-15-8-12/h12-13,15-16H,2-11H2,1H3/t12-/m0/s1
InChIKeyIPCSNJOIOBUHCD-LBPRGKRZSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
The IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide (CID 166150611) is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
The canonical SMILES for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide is CS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.
What is the InChIKey of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
The InChIKey is IPCSNJOIOBUHCD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-20(18,19)16-13-2-5-14(6-3-13)10-17(11-14)9-12-4-7-15-8-12/h12-13,15-16H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide has a molecular weight of 301.46 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide is sourced from PubChem (CID 166150611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).