1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane

C13H24N4O2S — CID 86784564

IUPAC1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C13H24N4O2S/c1-4-11-13(12(5-2)16(3)15-11)20(18,19)17-9-6-7-14-8-10-17/h14H,4-10H2,1-3H3
InChIKeyMUTOYMJCMYPOJA-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.53
Rot. Bonds4

About 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane

1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane (PubChem CID 86784564) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane
PubChem CID86784564
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C13H24N4O2S/c1-4-11-13(12(5-2)16(3)15-11)20(18,19)17-9-6-7-14-8-10-17/h14H,4-10H2,1-3H3
InChIKeyMUTOYMJCMYPOJA-UHFFFAOYSA-N
XLogP0.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane?
The IUPAC name of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane (CID 86784564) is 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane.
What is the SMILES notation for 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane?
The canonical SMILES for 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane is CCc1nn(C)c(CC)c1S(=O)(=O)N1CCCNCC1.
What is the InChIKey of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane?
The InChIKey is MUTOYMJCMYPOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-11-13(12(5-2)16(3)15-11)20(18,19)17-9-6-7-14-8-10-17/h14H,4-10H2,1-3H3.
What are the key properties of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane?
1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane has a molecular weight of 300.43 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane is sourced from PubChem (CID 86784564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).