N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide

C10H21N3O4S — CID 106297820

IUPACN-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCOCC2)CCOCC1
InChIInChI=1S/C10H21N3O4S/c11-9-10(1-5-16-6-2-10)12-18(14,15)13-3-7-17-8-4-13/h12H,1-9,11H2
InChIKeyRJGPXKDQUAKAPE-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.34
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide

N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide (PubChem CID 106297820) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide
PubChem CID106297820
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCOCC2)CCOCC1
InChIInChI=1S/C10H21N3O4S/c11-9-10(1-5-16-6-2-10)12-18(14,15)13-3-7-17-8-4-13/h12H,1-9,11H2
InChIKeyRJGPXKDQUAKAPE-UHFFFAOYSA-N
XLogP-1.34
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide (CID 106297820) is N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide is NCC1(NS(=O)(=O)N2CCOCC2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide?
The InChIKey is RJGPXKDQUAKAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c11-9-10(1-5-16-6-2-10)12-18(14,15)13-3-7-17-8-4-13/h12H,1-9,11H2.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide?
N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of -1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 106297820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).