1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine

C14H23N3O2S — CID 110709141

IUPAC1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCCCCS(=O)(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-3-11-20(18,19)17-9-7-16(8-10-17)13-14-5-4-6-15-12-14/h4-6,12H,2-3,7-11,13H2,1H3
InChIKeyKSTKRVWMLBCJRJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.33
Rot. Bonds6

About 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine

1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 110709141) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
PubChem CID110709141
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCCCCS(=O)(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-3-11-20(18,19)17-9-7-16(8-10-17)13-14-5-4-6-15-12-14/h4-6,12H,2-3,7-11,13H2,1H3
InChIKeyKSTKRVWMLBCJRJ-UHFFFAOYSA-N
XLogP1.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 6472190
1-(benzenesulfonyl)-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 90483917
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
1-(4-chlorobutylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 116815226
1-(1,3-benzodioxol-5-ylmethyl)-4-butylsulfonylpiperazine
CID 17375846
1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
CID 66548508
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine
CID 91953388
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carbothioamide
CID 19293444
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine (CID 110709141) is 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine is CCCCS(=O)(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is KSTKRVWMLBCJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-3-11-20(18,19)17-9-7-16(8-10-17)13-14-5-4-6-15-12-14/h4-6,12H,2-3,7-11,13H2,1H3.
What are the key properties of 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine?
1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 297.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 110709141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).