4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine

C9H21N3O3S — CID 106297746

IUPAC4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
SMILESCC(C)NS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H21N3O3S/c1-8(2)11-16(13,14)12-9(7-10)3-5-15-6-4-9/h8,11-12H,3-7,10H2,1-2H3
InChIKeyIMDZWEPOPUSSBQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.67
Rot. Bonds5

About 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine

4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine (PubChem CID 106297746) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
PubChem CID106297746
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
SMILESCC(C)NS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H21N3O3S/c1-8(2)11-16(13,14)12-9(7-10)3-5-15-6-4-9/h8,11-12H,3-7,10H2,1-2H3
InChIKeyIMDZWEPOPUSSBQ-UHFFFAOYSA-N
XLogP-0.67
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.67
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
[[(3R,4R)-3-amino-4-methyloxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638865
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-(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
4-(aminomethyl)-N-(tert-butylsulfamoyl)oxan-4-amine
CID 106297783
ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate
CID 106297834

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine (CID 106297746) is 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine is CC(C)NS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine?
The InChIKey is IMDZWEPOPUSSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-8(2)11-16(13,14)12-9(7-10)3-5-15-6-4-9/h8,11-12H,3-7,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine?
4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine has a molecular weight of 251.35 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine is sourced from PubChem (CID 106297746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).