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

C16H31N3O2S — CID 175831449

IUPACN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C16H31N3O2S/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/t14-/m0/s1
InChIKeyGJEUAMVVRMTAIX-AWEZNQCLSA-N
MW329.51 g/mol
LogP1.17
Rot. Bonds5

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

N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide (PubChem CID 175831449) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
PubChem CID175831449
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC NameN-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2
InChIInChI=1S/C16H31N3O2S/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/t14-/m0/s1
InChIKeyGJEUAMVVRMTAIX-AWEZNQCLSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide?
The IUPAC name of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide (CID 175831449) is N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2.
What is the InChIKey of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide?
The InChIKey is GJEUAMVVRMTAIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2S/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/t14-/m0/s1.
What are the key properties of N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide?
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide has a molecular weight of 329.51 g/mol, XLogP of 1.17, 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]propane-2-sulfonamide is sourced from PubChem (CID 175831449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).