1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane

C13H29N3O2S — CID 61455945

IUPAC1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
SMILESCC(C)N(C)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)16(3)19(17,18)15-13(11-14)9-7-5-4-6-8-10-13/h12,15H,4-11,14H2,1-3H3
InChIKeyPCVJCFSMMAHTIY-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.60
Rot. Bonds5

About 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane

1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane (PubChem CID 61455945) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
PubChem CID61455945
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
SMILESCC(C)N(C)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)16(3)19(17,18)15-13(11-14)9-7-5-4-6-8-10-13/h12,15H,4-11,14H2,1-3H3
InChIKeyPCVJCFSMMAHTIY-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
The IUPAC name of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane (CID 61455945) is 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane.
What is the SMILES notation for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
The canonical SMILES for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane is CC(C)N(C)S(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
The InChIKey is PCVJCFSMMAHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-12(2)16(3)19(17,18)15-13(11-14)9-7-5-4-6-8-10-13/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane?
1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane has a molecular weight of 291.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane is sourced from PubChem (CID 61455945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).