2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane

C14H29N3O2S — CID 106067712

IUPAC2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane
SMILESCC(C)NCCCN(C)S(=O)(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H29N3O2S/c1-11(2)15-7-4-8-17(3)20(18,19)16-14-10-12-5-6-13(14)9-12/h11-16H,4-10H2,1-3H3
InChIKeyOCGDQFHDGIPWBN-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.33
Rot. Bonds8

About 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane

2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane (PubChem CID 106067712) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane
PubChem CID106067712
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane
SMILESCC(C)NCCCN(C)S(=O)(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H29N3O2S/c1-11(2)15-7-4-8-17(3)20(18,19)16-14-10-12-5-6-13(14)9-12/h11-16H,4-10H2,1-3H3
InChIKeyOCGDQFHDGIPWBN-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
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-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
CID 106063912
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
(1R,2S,3R)-1-[[butyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
CID 99849696
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
CID 106067150
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane (CID 106067712) is 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane is CC(C)NCCCN(C)S(=O)(=O)NC1CC2CCC1C2.
What is the InChIKey of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane?
The InChIKey is OCGDQFHDGIPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-11(2)15-7-4-8-17(3)20(18,19)16-14-10-12-5-6-13(14)9-12/h11-16H,4-10H2,1-3H3.
What are the key properties of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane?
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane has a molecular weight of 303.47 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane is sourced from PubChem (CID 106067712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).