N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

C20H25N3O2S — CID 97374899

IUPACN-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCC12CCN(Cc1ccncc1)CC2)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-26(25,18-4-2-1-3-5-18)22-19-6-9-20(19)10-14-23(15-11-20)16-17-7-12-21-13-8-17/h1-5,7-8,12-13,19,22H,6,9-11,14-16H2/t19-/m1/s1
InChIKeyLARAWSXYRZEHND-LJQANCHMSA-N
MW371.51 g/mol
LogP2.80
Rot. Bonds5

About N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (PubChem CID 97374899) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
PubChem CID97374899
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCC12CCN(Cc1ccncc1)CC2)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-26(25,18-4-2-1-3-5-18)22-19-6-9-20(19)10-14-23(15-11-20)16-17-7-12-21-13-8-17/h1-5,7-8,12-13,19,22H,6,9-11,14-16H2/t19-/m1/s1
InChIKeyLARAWSXYRZEHND-LJQANCHMSA-N
XLogP2.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 155848564
N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374891
N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374880
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
N-[7-(furan-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155845063
N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzenesulfonamide
CID 46943286
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-methylsulfonyl-7-(pyridin-4-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 97412786
(3aS,6aS)-5-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401946
2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 131650261
7-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472438

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (CID 97374899) is N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCC12CCN(Cc1ccncc1)CC2)c1ccccc1.
What is the InChIKey of N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The InChIKey is LARAWSXYRZEHND-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-26(25,18-4-2-1-3-5-18)22-19-6-9-20(19)10-14-23(15-11-20)16-17-7-12-21-13-8-17/h1-5,7-8,12-13,19,22H,6,9-11,14-16H2/t19-/m1/s1.
What are the key properties of N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide has a molecular weight of 371.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is sourced from PubChem (CID 97374899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).