N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride

C16H32ClN3O2S — CID 166150548

IUPACN-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride
SMILESCC(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2.Cl
InChIInChI=1S/C16H31N3O2S.ClH/c1-13(2)22(20,21)18-15-3-6-16(7-4-15)11-19(12-16)10-14-5-8-17-9-14;/h13-15,17-18H,3-12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyGBGGBEJKWCQMIF-PFEQFJNWSA-N
MW365.97 g/mol
LogP1.59
Rot. Bonds5

About N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride

N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride (PubChem CID 166150548) has the molecular formula C16H32ClN3O2S and a molecular weight of 365.97 g/mol. Its IUPAC name is N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride
PubChem CID166150548
Molecular FormulaC16H32ClN3O2S
Molecular Weight365.97 g/mol
Exact Mass365.19
IUPAC NameN-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride
SMILESCC(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2.Cl
InChIInChI=1S/C16H31N3O2S.ClH/c1-13(2)22(20,21)18-15-3-6-16(7-4-15)11-19(12-16)10-14-5-8-17-9-14;/h13-15,17-18H,3-12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyGBGGBEJKWCQMIF-PFEQFJNWSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.97
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
CID 175831449
7-(dimethylsulfamoylamino)-2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane
CID 175831516
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide
CID 166150810
N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 166150782
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
CID 80563875
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
CID 166150825
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768
7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
CID 170022734
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride (CID 166150548) is N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride is CC(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2.Cl.
What is the InChIKey of N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride?
The InChIKey is GBGGBEJKWCQMIF-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H31N3O2S.ClH/c1-13(2)22(20,21)18-15-3-6-16(7-4-15)11-19(12-16)10-14-5-8-17-9-14;/h13-15,17-18H,3-12H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride?
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide;hydrochloride has a molecular weight of 365.97 g/mol, XLogP of 1.59, 5 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]propane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 166150548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).