7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane

C14H30N2O2S — CID 106733370

IUPAC7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane
SMILESCCCS(=O)(=O)CCN1CC(C(C)C)NCCC1C
InChIInChI=1S/C14H30N2O2S/c1-5-9-19(17,18)10-8-16-11-14(12(2)3)15-7-6-13(16)4/h12-15H,5-11H2,1-4H3
InChIKeyFUELFBVBYSBRFP-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds6

About 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane

7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane (PubChem CID 106733370) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane
PubChem CID106733370
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane
SMILESCCCS(=O)(=O)CCN1CC(C(C)C)NCCC1C
InChIInChI=1S/C14H30N2O2S/c1-5-9-19(17,18)10-8-16-11-14(12(2)3)15-7-6-13(16)4/h12-15H,5-11H2,1-4H3
InChIKeyFUELFBVBYSBRFP-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
CID 106732690
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 104567944
7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
CID 64870549
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
2-butan-2-yl-5-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106732802
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 64870356
3-butan-2-yl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane
CID 64870751
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane?
The IUPAC name of 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane (CID 106733370) is 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane.
What is the SMILES notation for 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane?
The canonical SMILES for 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane is CCCS(=O)(=O)CCN1CC(C(C)C)NCCC1C.
What is the InChIKey of 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane?
The InChIKey is FUELFBVBYSBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-9-19(17,18)10-8-16-11-14(12(2)3)15-7-6-13(16)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane?
7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane has a molecular weight of 290.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-1-(2-propylsulfonylethyl)-1,4-diazepane is sourced from PubChem (CID 106733370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).