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

C15H29N3O2S — CID 166150578

IUPACN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C15H29N3O2S/c1-2-21(19,20)17-14-3-6-15(7-4-14)11-18(12-15)10-13-5-8-16-9-13/h13-14,16-17H,2-12H2,1H3/t13-/m0/s1
InChIKeyNXZIIHHKPDADMM-ZDUSSCGKSA-N
MW315.48 g/mol
LogP0.78
Rot. Bonds5

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

N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide (PubChem CID 166150578) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
PubChem CID166150578
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C15H29N3O2S/c1-2-21(19,20)17-14-3-6-15(7-4-14)11-18(12-15)10-13-5-8-16-9-13/h13-14,16-17H,2-12H2,1H3/t13-/m0/s1
InChIKeyNXZIIHHKPDADMM-ZDUSSCGKSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 50.78
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]ethanesulfonamide?
The IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide (CID 166150578) is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide?
The canonical SMILES for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is NXZIIHHKPDADMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-2-21(19,20)17-14-3-6-15(7-4-14)11-18(12-15)10-13-5-8-16-9-13/h13-14,16-17H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide?
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide has a molecular weight of 315.48 g/mol, XLogP of 0.78, 5 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]ethanesulfonamide is sourced from PubChem (CID 166150578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).