1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine

C16H32N2O4S2 — CID 4599987

IUPAC1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
SMILESO=S(=O)(CCCCCCS(=O)(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H32N2O4S2/c19-23(20,17-11-5-3-6-12-17)15-9-1-2-10-16-24(21,22)18-13-7-4-8-14-18/h1-16H2
InChIKeyXPUQQZQOJRUXQY-UHFFFAOYSA-N
MW380.58 g/mol
LogP2.18
Rot. Bonds9

About 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine

1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine (PubChem CID 4599987) has the molecular formula C16H32N2O4S2 and a molecular weight of 380.58 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
PubChem CID4599987
Molecular FormulaC16H32N2O4S2
Molecular Weight380.58 g/mol
Exact Mass380.18
IUPAC Name1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
SMILESO=S(=O)(CCCCCCS(=O)(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C16H32N2O4S2/c19-23(20,17-11-5-3-6-12-17)15-9-1-2-10-16-24(21,22)18-13-7-4-8-14-18/h1-16H2
InChIKeyXPUQQZQOJRUXQY-UHFFFAOYSA-N
XLogP2.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
5-(azepan-1-ylsulfonyl)pentanenitrile
CID 28704816
1-(3-bromopropylsulfonyl)pyrrolidine
CID 170985713
5-(azepan-1-ylsulfonyl)pentanoyl chloride
CID 28704871
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
CID 165475141
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
2-[[8,15-bis(2-trimethylsilylethylsulfonyl)-1,8,15-triazacyclohenicos-1-yl]sulfonyl]ethyl-trimethylsilane
CID 101272185

Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine?
The IUPAC name of 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine (CID 4599987) is 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine.
What is the SMILES notation for 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine?
The canonical SMILES for 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine is O=S(=O)(CCCCCCS(=O)(=O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine?
The InChIKey is XPUQQZQOJRUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4S2/c19-23(20,17-11-5-3-6-12-17)15-9-1-2-10-16-24(21,22)18-13-7-4-8-14-18/h1-16H2.
What are the key properties of 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine?
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine has a molecular weight of 380.58 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine is sourced from PubChem (CID 4599987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).