N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide

C9H18N2O3S — CID 106297878

IUPACN-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide
SMILESNCC1(NS(=O)(=O)C2CC2)CCOCC1
InChIInChI=1S/C9H18N2O3S/c10-7-9(3-5-14-6-4-9)11-15(12,13)8-1-2-8/h8,11H,1-7,10H2
InChIKeyCLOQEPVMCRLADV-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.42
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide (PubChem CID 106297878) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide
PubChem CID106297878
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide
SMILESNCC1(NS(=O)(=O)C2CC2)CCOCC1
InChIInChI=1S/C9H18N2O3S/c10-7-9(3-5-14-6-4-9)11-15(12,13)8-1-2-8/h8,11H,1-7,10H2
InChIKeyCLOQEPVMCRLADV-UHFFFAOYSA-N
XLogP-0.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide (CID 106297878) is N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide is NCC1(NS(=O)(=O)C2CC2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide?
The InChIKey is CLOQEPVMCRLADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c10-7-9(3-5-14-6-4-9)11-15(12,13)8-1-2-8/h8,11H,1-7,10H2.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 106297878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).