1-ethylsulfinyl-6-methyl-1,4-diazepane

C8H18N2OS — CID 130948915

IUPAC1-ethylsulfinyl-6-methyl-1,4-diazepane
SMILESCCS(=O)N1CCNCC(C)C1
InChIInChI=1S/C8H18N2OS/c1-3-12(11)10-5-4-9-6-8(2)7-10/h8-9H,3-7H2,1-2H3
InChIKeyPCDJQNCMYHCAHR-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.21
Rot. Bonds2

About 1-ethylsulfinyl-6-methyl-1,4-diazepane

1-ethylsulfinyl-6-methyl-1,4-diazepane (PubChem CID 130948915) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-ethylsulfinyl-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-ethylsulfinyl-6-methyl-1,4-diazepane
PubChem CID130948915
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name1-ethylsulfinyl-6-methyl-1,4-diazepane
SMILESCCS(=O)N1CCNCC(C)C1
InChIInChI=1S/C8H18N2OS/c1-3-12(11)10-5-4-9-6-8(2)7-10/h8-9H,3-7H2,1-2H3
InChIKeyPCDJQNCMYHCAHR-UHFFFAOYSA-N
XLogP0.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfinyl-4-methylpiperidine
CID 143149412
1-(3-ethylpentan-2-yl)-6-methyl-1,4-diazepane
CID 63837022
6-methyl-1,4-diazepane-1-carboxylic acid
CID 90022052
2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol
CID 130979491
1-propylsulfinylpiperazine
CID 83695835
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
1-(6-methyl-1,4-diazepan-1-yl)but-3-yn-1-one
CID 130655199
6-methyl-1-prop-2-ynyl-1,4-diazepane
CID 130948165
2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione
CID 153358615
7-methyl-1-propyl-1,5-diazocan-2-one
CID 117014854
1-(2,3-dimethylbutyl)-6-methyl-1,4-diazepane
CID 64599289
2-methylpiperazine-1-sulfinic acid
CID 89262183

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-6-methyl-1,4-diazepane?
The IUPAC name of 1-ethylsulfinyl-6-methyl-1,4-diazepane (CID 130948915) is 1-ethylsulfinyl-6-methyl-1,4-diazepane.
What is the SMILES notation for 1-ethylsulfinyl-6-methyl-1,4-diazepane?
The canonical SMILES for 1-ethylsulfinyl-6-methyl-1,4-diazepane is CCS(=O)N1CCNCC(C)C1.
What is the InChIKey of 1-ethylsulfinyl-6-methyl-1,4-diazepane?
The InChIKey is PCDJQNCMYHCAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-12(11)10-5-4-9-6-8(2)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfinyl-6-methyl-1,4-diazepane?
1-ethylsulfinyl-6-methyl-1,4-diazepane has a molecular weight of 190.31 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-6-methyl-1,4-diazepane is sourced from PubChem (CID 130948915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).