1-pentyl-4-pentylsulfonylpiperazine

C14H30N2O2S — CID 86969430

IUPAC1-pentyl-4-pentylsulfonylpiperazine
SMILESCCCCCN1CCN(S(=O)(=O)CCCCC)CC1
InChIInChI=1S/C14H30N2O2S/c1-3-5-7-9-15-10-12-16(13-11-15)19(17,18)14-8-6-4-2/h3-14H2,1-2H3
InChIKeyGDQRDAPFGSVHRF-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.31
Rot. Bonds9

About 1-pentyl-4-pentylsulfonylpiperazine

1-pentyl-4-pentylsulfonylpiperazine (PubChem CID 86969430) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-pentyl-4-pentylsulfonylpiperazine.

Molecular Properties

Compound Name1-pentyl-4-pentylsulfonylpiperazine
PubChem CID86969430
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name1-pentyl-4-pentylsulfonylpiperazine
SMILESCCCCCN1CCN(S(=O)(=O)CCCCC)CC1
InChIInChI=1S/C14H30N2O2S/c1-3-5-7-9-15-10-12-16(13-11-15)19(17,18)14-8-6-4-2/h3-14H2,1-2H3
InChIKeyGDQRDAPFGSVHRF-UHFFFAOYSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
1-hexyl-4-methylsulfonylpiperazine
CID 91481078
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
1-butylsulfonyl-4-(2-chloroethyl)-1,4-diazepane
CID 63397592
4-[3-(4-pentylsulfonylpiperazin-1-yl)propoxy]benzonitrile
CID 86936868
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylaziridine
CID 544653
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
N-(2,6-dichlorophenyl)-3-(4-pentylsulfonylpiperazin-1-yl)propanamide
CID 86936983
1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
CID 141053770
N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine
CID 174945817

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-pentylsulfonylpiperazine?
The IUPAC name of 1-pentyl-4-pentylsulfonylpiperazine (CID 86969430) is 1-pentyl-4-pentylsulfonylpiperazine.
What is the SMILES notation for 1-pentyl-4-pentylsulfonylpiperazine?
The canonical SMILES for 1-pentyl-4-pentylsulfonylpiperazine is CCCCCN1CCN(S(=O)(=O)CCCCC)CC1.
What is the InChIKey of 1-pentyl-4-pentylsulfonylpiperazine?
The InChIKey is GDQRDAPFGSVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-3-5-7-9-15-10-12-16(13-11-15)19(17,18)14-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1-pentyl-4-pentylsulfonylpiperazine?
1-pentyl-4-pentylsulfonylpiperazine has a molecular weight of 290.47 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-pentylsulfonylpiperazine is sourced from PubChem (CID 86969430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).