4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide

C15H28N2O2S — CID 64943157

IUPAC4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C15H28N2O2S/c18-20(19)11-5-14(6-12-20)17-10-4-9-16-15(13-17)7-2-1-3-8-15/h14,16H,1-13H2
InChIKeyCZEMXYKXHBSGQY-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.56
Rot. Bonds1

About 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide

4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide (PubChem CID 64943157) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide
PubChem CID64943157
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C15H28N2O2S/c18-20(19)11-5-14(6-12-20)17-10-4-9-16-15(13-17)7-2-1-3-8-15/h14,16H,1-13H2
InChIKeyCZEMXYKXHBSGQY-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-Dioxothian-4-yl)-4-(fluoromethyl)azepan-4-amine
CID 115051330
N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothian-4-amine
CID 43511576
2-Cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581311
[1-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine
CID 43581368
1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 43581606
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine
CID 54981606
[4-(Azepan-1-yl)-1,1-dioxothian-4-yl]methanamine
CID 54982901
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
4-(aminomethyl)-N-cyclohexyl-N-ethyl-1,1-dioxothian-4-amine
CID 54982988
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1,1-dioxothian-4-amine
CID 54983209
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-1,1-dioxothian-4-amine
CID 54983301
4-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-1,1-dioxothian-4-amine
CID 54983346

Frequently Asked Questions

What is the IUPAC name of 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide (CID 64943157) is 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide is O=S1(=O)CCC(N2CCCNC3(CCCCC3)C2)CC1.
What is the InChIKey of 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
The InChIKey is CZEMXYKXHBSGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c18-20(19)11-5-14(6-12-20)17-10-4-9-16-15(13-17)7-2-1-3-8-15/h14,16H,1-13H2.
What are the key properties of 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide?
4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide has a molecular weight of 300.47 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,11-diazaspiro[5.6]dodecan-11-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64943157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).