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

C12H24N4O2S — CID 61441412

IUPAC1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(N1CCCNCC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H24N4O2S/c17-19(18,15-6-1-4-13-5-7-15)16-10-8-14(9-11-16)12-2-3-12/h12-13H,1-11H2
InChIKeyQNGIYMRQEDWGGB-UHFFFAOYSA-N
MW288.42 g/mol
LogP-0.69
Rot. Bonds3

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

1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane (PubChem CID 61441412) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane
PubChem CID61441412
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(N1CCCNCC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C12H24N4O2S/c17-19(18,15-6-1-4-13-5-7-15)16-10-8-14(9-11-16)12-2-3-12/h12-13H,1-11H2
InChIKeyQNGIYMRQEDWGGB-UHFFFAOYSA-N
XLogP-0.69
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane
CID 63170432
1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine
CID 61243717
1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 28746723
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-(4-propylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 62199444
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
3-(1,4-diazepan-1-ylsulfonyl)-3-azaspiro[5.5]undecane
CID 62937963
1-piperidin-4-yl-1,4-diazepane
CID 53414008
1-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 55217738
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane (CID 61441412) is 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane is O=S(=O)(N1CCCNCC1)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane?
The InChIKey is QNGIYMRQEDWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c17-19(18,15-6-1-4-13-5-7-15)16-10-8-14(9-11-16)12-2-3-12/h12-13H,1-11H2.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane?
1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane has a molecular weight of 288.42 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane is sourced from PubChem (CID 61441412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).