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

C12H27N3O2S — CID 106088303

IUPAC1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
SMILESCNCCCN(C)S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C12H27N3O2S/c1-11-6-4-7-12(11)10-14-18(16,17)15(3)9-5-8-13-2/h11-14H,4-10H2,1-3H3
InChIKeyDMAJMBZWGYOPSI-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.80
Rot. Bonds8

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

1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane (PubChem CID 106088303) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane.

Molecular Properties

Compound Name1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
PubChem CID106088303
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
SMILESCNCCCN(C)S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C12H27N3O2S/c1-11-6-4-7-12(11)10-14-18(16,17)15(3)9-5-8-13-2/h11-14H,4-10H2,1-3H3
InChIKeyDMAJMBZWGYOPSI-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.80
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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Related Compounds

2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
CID 114106932
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
CID 97244865
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
CID 106094370
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane?
The IUPAC name of 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane (CID 106088303) is 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane.
What is the SMILES notation for 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane?
The canonical SMILES for 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane is CNCCCN(C)S(=O)(=O)NCC1CCCC1C.
What is the InChIKey of 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane?
The InChIKey is DMAJMBZWGYOPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11-6-4-7-12(11)10-14-18(16,17)15(3)9-5-8-13-2/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane?
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane has a molecular weight of 277.43 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane is sourced from PubChem (CID 106088303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).