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

C15H29N3O2S — CID 166150606

IUPACN-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC2(CC1)CN(CC1CCNC1)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
InChIKeyNXZIIHHKPDADMM-UHFFFAOYSA-N
MW315.48 g/mol
LogP0.78
Rot. Bonds5

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

N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide (PubChem CID 166150606) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
PubChem CID166150606
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC2(CC1)CN(CC1CCNC1)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
InChIKeyNXZIIHHKPDADMM-UHFFFAOYSA-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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Related Compounds

1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
CID 166150628
1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 166150629
1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 175831597
3-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]-6,6-dimethylheptan-2-amine
CID 132237234
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride
CID 166150548
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
CID 166150549
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
CID 166150577
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
CID 166150578
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
CID 166150605
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
CID 166150610
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 166150611
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride
CID 166150614

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide?
The IUPAC name of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide (CID 166150606) is N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide?
The canonical SMILES for N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCC2(CC1)CN(CC1CCNC1)C2.
What is the InChIKey of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide?
The InChIKey is NXZIIHHKPDADMM-UHFFFAOYSA-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.
What are the key properties of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide?
N-[2-(pyrrolidin-3-ylmethyl)-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-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide is sourced from PubChem (CID 166150606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).