3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane

C20H25N3O2S — CID 3233890

IUPAC3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,19-4-2-1-3-5-19)23-16-10-20(11-17-23)8-14-22(15-9-20)18-6-12-21-13-7-18/h1-7,12-13H,8-11,14-17H2
InChIKeyNMHMVZJUGHQUOC-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.15
Rot. Bonds3

About 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane

3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 3233890) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
PubChem CID3233890
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,19-4-2-1-3-5-19)23-16-10-20(11-17-23)8-14-22(15-9-20)18-6-12-21-13-7-18/h1-7,12-13H,8-11,14-17H2
InChIKeyNMHMVZJUGHQUOC-UHFFFAOYSA-N
XLogP3.15
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-yl)benzenesulfonamide
CID 669138
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
Piperazine moiety, 3
CID 57339811
1-Isopropyl-4-(3-(1-piperidinylsulfonyl)-4-pyridinyl)piperazine
CID 325375
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736
9-Methylsulfonyl-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
CID 3233964
9-(Benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
CID 3234057

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane (CID 3233890) is 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane is O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is NMHMVZJUGHQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-26(25,19-4-2-1-3-5-19)23-16-10-20(11-17-23)8-14-22(15-9-20)18-6-12-21-13-7-18/h1-7,12-13H,8-11,14-17H2.
What are the key properties of 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane?
3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 371.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3233890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).