N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide

C8H17NO4S — CID 61356040

IUPACN-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1COCCO1
InChIInChI=1S/C8H17NO4S/c1-7(2)14(10,11)9-5-8-6-12-3-4-13-8/h7-9H,3-6H2,1-2H3
InChIKeySXBJJRNRIVAXFG-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.27
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide

N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide (PubChem CID 61356040) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide
PubChem CID61356040
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1COCCO1
InChIInChI=1S/C8H17NO4S/c1-7(2)14(10,11)9-5-8-6-12-3-4-13-8/h7-9H,3-6H2,1-2H3
InChIKeySXBJJRNRIVAXFG-UHFFFAOYSA-N
XLogP-0.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide (CID 61356040) is N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide?
The InChIKey is SXBJJRNRIVAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(2)14(10,11)9-5-8-6-12-3-4-13-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide?
N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 61356040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).