1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane

C13H29N3O2S — CID 106084813

IUPAC1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
SMILESCCCNCCCN(C)S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C13H29N3O2S/c1-4-9-14-10-6-11-16(3)19(17,18)15-12(2)13-7-5-8-13/h12-15H,4-11H2,1-3H3
InChIKeySGQKXSFWPOIRBD-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.33
Rot. Bonds10

About 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane

1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane (PubChem CID 106084813) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane.

Molecular Properties

Compound Name1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
PubChem CID106084813
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
SMILESCCCNCCCN(C)S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C13H29N3O2S/c1-4-9-14-10-6-11-16(3)19(17,18)15-12(2)13-7-5-8-13/h12-15H,4-11H2,1-3H3
InChIKeySGQKXSFWPOIRBD-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.33
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

[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
N-(1-cyclopentylethyl)-2-(propylamino)ethanesulfonamide
CID 106066112
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
CID 106068275
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
CID 106063912
N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 61387261

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane?
The IUPAC name of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane (CID 106084813) is 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane.
What is the SMILES notation for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane?
The canonical SMILES for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane is CCCNCCCN(C)S(=O)(=O)NC(C)C1CCC1.
What is the InChIKey of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane?
The InChIKey is SGQKXSFWPOIRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-9-14-10-6-11-16(3)19(17,18)15-12(2)13-7-5-8-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane?
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane has a molecular weight of 291.46 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane is sourced from PubChem (CID 106084813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).