4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane

C15H31N3O2S — CID 43598116

IUPAC4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane
SMILESCCCCN(C)S(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-4-12-18(2)21(19,20)17-14-8-11-16-15(13-14)9-6-5-7-10-15/h14,16-17H,3-13H2,1-2H3
InChIKeyCEAHHHLFJOQUTA-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.01
Rot. Bonds6

About 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane

4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane (PubChem CID 43598116) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane
PubChem CID43598116
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane
SMILESCCCCN(C)S(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-4-12-18(2)21(19,20)17-14-8-11-16-15(13-14)9-6-5-7-10-15/h14,16-17H,3-13H2,1-2H3
InChIKeyCEAHHHLFJOQUTA-UHFFFAOYSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Azaspiro(5.5)undecan-4-amine
CID 64981405
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
4-[(4,4-Difluorocyclohexyl)methyl-sulfamoylamino]piperidine
CID 167049362
N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
CID 43598115
N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine
CID 114810366
3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
2,2,6,6-Tetramethyl-4-(sulfinatoamino)piperidine
CID 17912142
2-(1-Piperidin-4-ylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434924
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 58821835
4-[2-[Cyclohexylsulfamoyl(methyl)amino]ethyl]piperidine
CID 70551613
4-[2-[[Cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperidine
CID 70585175
4-Ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 118241953

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane (CID 43598116) is 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane is CCCCN(C)S(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane?
The InChIKey is CEAHHHLFJOQUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-4-12-18(2)21(19,20)17-14-8-11-16-15(13-14)9-6-5-7-10-15/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane?
4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane has a molecular weight of 317.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane is sourced from PubChem (CID 43598116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).