N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide

C13H25N3O2S — CID 166150810

IUPACN-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC2(C1)CN(CC1CCNC1)C2
InChIInChI=1S/C13H25N3O2S/c1-2-19(17,18)15-12-5-13(6-12)9-16(10-13)8-11-3-4-14-7-11/h11-12,14-15H,2-10H2,1H3
InChIKeyBZDRACZYZKVQFH-UHFFFAOYSA-N
MW287.43 g/mol
LogP-0.00
Rot. Bonds5

About N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide

N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide (PubChem CID 166150810) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide
PubChem CID166150810
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC2(C1)CN(CC1CCNC1)C2
InChIInChI=1S/C13H25N3O2S/c1-2-19(17,18)15-12-5-13(6-12)9-16(10-13)8-11-3-4-14-7-11/h11-12,14-15H,2-10H2,1H3
InChIKeyBZDRACZYZKVQFH-UHFFFAOYSA-N
XLogP-0.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 166150782
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
CID 175831449
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride
CID 166150548
7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane
CID 175831516
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
CID 80563875
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
CID 144690216
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide?
The IUPAC name of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide (CID 166150810) is N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide?
The canonical SMILES for N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide is CCS(=O)(=O)NC1CC2(C1)CN(CC1CCNC1)C2.
What is the InChIKey of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide?
The InChIKey is BZDRACZYZKVQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-2-19(17,18)15-12-5-13(6-12)9-16(10-13)8-11-3-4-14-7-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide?
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide has a molecular weight of 287.43 g/mol, XLogP of -0.00, 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[3.3]heptan-6-yl]ethanesulfonamide is sourced from PubChem (CID 166150810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).