1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane

C10H22N4O2S — CID 28746723

IUPAC1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
SMILESCN1CCN(S(=O)(=O)N2CCCNCC2)CC1
InChIInChI=1S/C10H22N4O2S/c1-12-7-9-14(10-8-12)17(15,16)13-5-2-3-11-4-6-13/h11H,2-10H2,1H3
InChIKeyCUPOHRYPJFPCIJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP-1.23
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane

1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane (PubChem CID 28746723) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
PubChem CID28746723
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
SMILESCN1CCN(S(=O)(=O)N2CCCNCC2)CC1
InChIInChI=1S/C10H22N4O2S/c1-12-7-9-14(10-8-12)17(15,16)13-5-2-3-11-4-6-13/h11H,2-10H2,1H3
InChIKeyCUPOHRYPJFPCIJ-UHFFFAOYSA-N
XLogP-1.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 61441412
3-(1,4-diazepan-1-ylsulfonyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79174228
4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride
CID 22707010
1-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 55217738
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
3-(1,4-diazepan-1-ylsulfonyl)-3-azaspiro[5.5]undecane
CID 62937963
1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane
CID 63170432
1-(4-propylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 62199444
1-methyl-1,4-diazepane
CID 161378839
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949
1-(2-methoxyethyl)-4-piperazin-1-ylsulfonyl-1,4-diazepane
CID 61254572
1-tert-butylsulfonyl-1,4-diazepane
CID 63687283

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane?
The IUPAC name of 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane (CID 28746723) is 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane is CN1CCN(S(=O)(=O)N2CCCNCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane?
The InChIKey is CUPOHRYPJFPCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-12-7-9-14(10-8-12)17(15,16)13-5-2-3-11-4-6-13/h11H,2-10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane?
1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane has a molecular weight of 262.38 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane is sourced from PubChem (CID 28746723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).