4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine

C10H23N3O3S — CID 114170084

IUPAC4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine
SMILESCC(C)CNS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C10H23N3O3S/c1-9(2)7-12-17(14,15)13-10(8-11)3-5-16-6-4-10/h9,12-13H,3-8,11H2,1-2H3
InChIKeyBDASNGDCHFFGEK-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.43
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine

4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine (PubChem CID 114170084) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine
PubChem CID114170084
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine
SMILESCC(C)CNS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C10H23N3O3S/c1-9(2)7-12-17(14,15)13-10(8-11)3-5-16-6-4-10/h9,12-13H,3-8,11H2,1-2H3
InChIKeyBDASNGDCHFFGEK-UHFFFAOYSA-N
XLogP-0.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
CID 114170108
4-[(Sulfamoylamino)methyl]oxane
CID 112688037
4-(Aminomethyl)oxan-4-amine;oxan-4-ylmethanamine
CID 157123069
4-[1-(Sulfamoylamino)ethyl]oxane
CID 103768185
4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
CID 106297703
N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide
CID 106297739
4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
CID 106297746
4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine
CID 106297749
N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide
CID 106297750
N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide
CID 106297752
4-(aminomethyl)-N-(ethylsulfamoyl)oxan-4-amine
CID 106297771
4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine
CID 106297780

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine (CID 114170084) is 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine is CC(C)CNS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine?
The InChIKey is BDASNGDCHFFGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-9(2)7-12-17(14,15)13-10(8-11)3-5-16-6-4-10/h9,12-13H,3-8,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine?
4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine has a molecular weight of 265.38 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine is sourced from PubChem (CID 114170084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).