N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride

C16H32ClN3O2S — CID 166150614

IUPACN-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2.Cl
InChIInChI=1S/C16H31N3O2S.ClH/c1-2-9-22(20,21)18-15-3-6-16(7-4-15)12-19(13-16)11-14-5-8-17-10-14;/h14-15,17-18H,2-13H2,1H3;1H/t14-;/m1./s1
InChIKeyJJLCVYPSPMBYIT-PFEQFJNWSA-N
MW365.97 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride

N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride (PubChem CID 166150614) 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-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride
PubChem CID166150614
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-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2.Cl
InChIInChI=1S/C16H31N3O2S.ClH/c1-2-9-22(20,21)18-15-3-6-16(7-4-15)12-19(13-16)11-14-5-8-17-10-14;/h14-15,17-18H,2-13H2,1H3;1H/t14-;/m1./s1
InChIKeyJJLCVYPSPMBYIT-PFEQFJNWSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride (CID 166150614) is N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride is CCCS(=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-1-sulfonamide;hydrochloride?
The InChIKey is JJLCVYPSPMBYIT-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H31N3O2S.ClH/c1-2-9-22(20,21)18-15-3-6-16(7-4-15)12-19(13-16)11-14-5-8-17-10-14;/h14-15,17-18H,2-13H2,1H3;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-1-sulfonamide;hydrochloride?
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-1-sulfonamide;hydrochloride has a molecular weight of 365.97 g/mol, XLogP of 1.59, 6 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-1-sulfonamide;hydrochloride is sourced from PubChem (CID 166150614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).