4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine

C7H17N3O3S — CID 106297780

IUPAC4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine
SMILESCNS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C7H17N3O3S/c1-9-14(11,12)10-7(6-8)2-4-13-5-3-7/h9-10H,2-6,8H2,1H3
InChIKeyDPJPJBPIQBABNB-UHFFFAOYSA-N
MW223.30 g/mol
LogP-1.45
Rot. Bonds4

About 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine

4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine (PubChem CID 106297780) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine
PubChem CID106297780
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine
SMILESCNS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C7H17N3O3S/c1-9-14(11,12)10-7(6-8)2-4-13-5-3-7/h9-10H,2-6,8H2,1H3
InChIKeyDPJPJBPIQBABNB-UHFFFAOYSA-N
XLogP-1.45
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine (CID 106297780) is 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine is CNS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine?
The InChIKey is DPJPJBPIQBABNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-9-14(11,12)10-7(6-8)2-4-13-5-3-7/h9-10H,2-6,8H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine?
4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine has a molecular weight of 223.30 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine is sourced from PubChem (CID 106297780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).