N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride

C15H30ClN3O2S — CID 166150577

IUPACN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.Cl
InChIInChI=1S/C15H29N3O2S.ClH/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;1H/t13-;/m0./s1
InChIKeyWCPJDAYTLBUVCX-ZOWNYOTGSA-N
MW351.94 g/mol
LogP1.20
Rot. Bonds5

About N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride

N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride (PubChem CID 166150577) has the molecular formula C15H30ClN3O2S and a molecular weight of 351.94 g/mol. Its IUPAC name is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
PubChem CID166150577
Molecular FormulaC15H30ClN3O2S
Molecular Weight351.94 g/mol
Exact Mass351.17
IUPAC NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.Cl
InChIInChI=1S/C15H29N3O2S.ClH/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;1H/t13-;/m0./s1
InChIKeyWCPJDAYTLBUVCX-ZOWNYOTGSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.94
LogP ≤ 51.20
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
CID 166150578
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
CID 166150605
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
CID 166150606
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-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride (CID 166150577) is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.Cl.
What is the InChIKey of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride?
The InChIKey is WCPJDAYTLBUVCX-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H29N3O2S.ClH/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;1H/t13-;/m0./s1.
What are the key properties of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride?
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride has a molecular weight of 351.94 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 166150577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).