2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine

C9H21N3O2S — CID 117015150

IUPAC2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCNCCS1(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-11(2)7-8-12-6-3-4-10-5-9-15(12,13)14/h10H,3-9H2,1-2H3
InChIKeyRQAZWJGJYTVRBO-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.83
Rot. Bonds3

About 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine

2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine (PubChem CID 117015150) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
PubChem CID117015150
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCNCCS1(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-11(2)7-8-12-6-3-4-10-5-9-15(12,13)14/h10H,3-9H2,1-2H3
InChIKeyRQAZWJGJYTVRBO-UHFFFAOYSA-N
XLogP-0.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015148
2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015143
2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine
CID 117026603
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015233
2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine
CID 117014513
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117014276
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol
CID 75433321

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine (CID 117015150) is 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine is CN(C)CCN1CCCNCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine?
The InChIKey is RQAZWJGJYTVRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-11(2)7-8-12-6-3-4-10-5-9-15(12,13)14/h10H,3-9H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine?
2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine has a molecular weight of 235.35 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 117015150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).