1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane

C12H27N3O2S — CID 106071009

IUPAC1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane
SMILESCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C12H27N3O2S/c1-12(2)8-5-7-11(12)14-18(16,17)15(4)10-6-9-13-3/h11,13-14H,5-10H2,1-4H3
InChIKeyCQPLSLXOBXYHRF-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.94
Rot. Bonds7

About 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane

1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane (PubChem CID 106071009) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane.

Molecular Properties

Compound Name1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane
PubChem CID106071009
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane
SMILESCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C12H27N3O2S/c1-12(2)8-5-7-11(12)14-18(16,17)15(4)10-6-9-13-3/h11,13-14H,5-10H2,1-4H3
InChIKeyCQPLSLXOBXYHRF-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane?
The IUPAC name of 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane (CID 106071009) is 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane.
What is the SMILES notation for 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane?
The canonical SMILES for 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane is CNCCCN(C)S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane?
The InChIKey is CQPLSLXOBXYHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2)8-5-7-11(12)14-18(16,17)15(4)10-6-9-13-3/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane?
1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane has a molecular weight of 277.43 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopentane is sourced from PubChem (CID 106071009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).