1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane

C15H30N4O4S2 — CID 2238490

IUPAC1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H30N4O4S2/c20-24(21,16-8-4-1-2-5-9-16)18-12-14-19(15-13-18)25(22,23)17-10-6-3-7-11-17/h1-15H2
InChIKeyPCBJPVQGNOVFHY-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.46
Rot. Bonds4

About 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane

1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane (PubChem CID 2238490) has the molecular formula C15H30N4O4S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
PubChem CID2238490
Molecular FormulaC15H30N4O4S2
Molecular Weight394.56 g/mol
Exact Mass394.17
IUPAC Name1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H30N4O4S2/c20-24(21,16-8-4-1-2-5-9-16)18-12-14-19(15-13-18)25(22,23)17-10-6-3-7-11-17/h1-15H2
InChIKeyPCBJPVQGNOVFHY-UHFFFAOYSA-N
XLogP0.46
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
1-(azetidin-1-ylsulfonyl)azetidine
CID 69400792
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
4-ethynyl-1-piperidin-1-ylsulfonylpiperidine
CID 165436307
N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
CID 60819803
5-(azepan-1-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211620
(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-ol
CID 66291550
3-bromo-1-piperidin-1-ylsulfonylpiperidine
CID 80676576

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane (CID 2238490) is 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane is O=S(=O)(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane?
The InChIKey is PCBJPVQGNOVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4S2/c20-24(21,16-8-4-1-2-5-9-16)18-12-14-19(15-13-18)25(22,23)17-10-6-3-7-11-17/h1-15H2.
What are the key properties of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane?
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane has a molecular weight of 394.56 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane is sourced from PubChem (CID 2238490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).