N-(oxan-4-yl)propane-2-sulfonamide

C8H17NO3S — CID 61355877

IUPACN-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-8-3-5-12-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDNURJAYQHVOGKC-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds3

About N-(oxan-4-yl)propane-2-sulfonamide

N-(oxan-4-yl)propane-2-sulfonamide (PubChem CID 61355877) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(oxan-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)propane-2-sulfonamide
PubChem CID61355877
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-8-3-5-12-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDNURJAYQHVOGKC-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyloxane-4-sulfonamide
CID 56824320
N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide
CID 75439666
N-butan-2-yloxolane-3-sulfonamide
CID 53615973
N-(oxan-4-yl)methanesulfonamide
CID 57747903
N-(3-ethoxypropyl)propane-1-sulfonamide
CID 60643267
N-(Oxan-4-YL)ethane-1-sulfonamide
CID 61356037
N-(oxan-4-yl)propane-1-sulfonamide
CID 61384178
N-ethyltetrahydro-2H-pyran-4-sulfonamide
CID 62047713
1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 64294996
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
N-(oxan-4-yl)butane-1-sulfonamide
CID 110726870

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)propane-2-sulfonamide?
The IUPAC name of N-(oxan-4-yl)propane-2-sulfonamide (CID 61355877) is N-(oxan-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)propane-2-sulfonamide?
The InChIKey is DNURJAYQHVOGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-8-3-5-12-6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(oxan-4-yl)propane-2-sulfonamide?
N-(oxan-4-yl)propane-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 61355877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).