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

C16H32ClN3O2S — CID 166150548

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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