N-propyloxazinane-2-sulfonamide

C7H16N2O3S — CID 114807242

IUPACN-propyloxazinane-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCCO1
InChIInChI=1S/C7H16N2O3S/c1-2-5-8-13(10,11)9-6-3-4-7-12-9/h8H,2-7H2,1H3
InChIKeyHBGBWSYOOBVOST-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.26
Rot. Bonds4

About N-propyloxazinane-2-sulfonamide

N-propyloxazinane-2-sulfonamide (PubChem CID 114807242) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-propyloxazinane-2-sulfonamide.

Molecular Properties

Compound NameN-propyloxazinane-2-sulfonamide
PubChem CID114807242
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-propyloxazinane-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCCO1
InChIInChI=1S/C7H16N2O3S/c1-2-5-8-13(10,11)9-6-3-4-7-12-9/h8H,2-7H2,1H3
InChIKeyHBGBWSYOOBVOST-UHFFFAOYSA-N
XLogP0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyloxazinane-2-sulfonamide?
The IUPAC name of N-propyloxazinane-2-sulfonamide (CID 114807242) is N-propyloxazinane-2-sulfonamide.
What is the SMILES notation for N-propyloxazinane-2-sulfonamide?
The canonical SMILES for N-propyloxazinane-2-sulfonamide is CCCNS(=O)(=O)N1CCCCO1.
What is the InChIKey of N-propyloxazinane-2-sulfonamide?
The InChIKey is HBGBWSYOOBVOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-5-8-13(10,11)9-6-3-4-7-12-9/h8H,2-7H2,1H3.
What are the key properties of N-propyloxazinane-2-sulfonamide?
N-propyloxazinane-2-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyloxazinane-2-sulfonamide is sourced from PubChem (CID 114807242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).