2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide

C12H24N2O2S — CID 117016611

IUPAC2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCC1(C)CNCCCS(=O)(=O)N1C1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-12(2)10-13-8-5-9-17(15,16)14(12)11-6-3-4-7-11/h11,13H,3-10H2,1-2H3
InChIKeyGTRLDMVIZRAMOL-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.33
Rot. Bonds1

About 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide

2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117016611) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117016611
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCC1(C)CNCCCS(=O)(=O)N1C1CCCC1
InChIInChI=1S/C12H24N2O2S/c1-12(2)10-13-8-5-9-17(15,16)14(12)11-6-3-4-7-11/h11,13H,3-10H2,1-2H3
InChIKeyGTRLDMVIZRAMOL-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2,2-dimethyl-1,4-diazepane
CID 82241587
1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
3,3-dimethyl-2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016617
1-cyclobutyl-2,2-dimethylpiperazine
CID 59454526
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane
CID 65461906
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
2,2-dimethyl-1-(oxan-3-yl)piperazine
CID 65460906
2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016571
4-(2,2-dimethylpiperazin-1-yl)azepan-2-one
CID 65462985
(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63133084
4-(1,1-dioxothian-3-yl)-6,6-dimethyl-1,4-diazepan-5-one
CID 115100525

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117016611) is 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide is CC1(C)CNCCCS(=O)(=O)N1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is GTRLDMVIZRAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2)10-13-8-5-9-17(15,16)14(12)11-6-3-4-7-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 260.40 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117016611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).