N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide

C9H19NO3S — CID 21034325

IUPACN-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-8(2)10(14(3,11)12)9-4-6-13-7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyDXMHVIHTTZXPMM-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds3

About N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide

N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 21034325) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID21034325
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-8(2)10(14(3,11)12)9-4-6-13-7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyDXMHVIHTTZXPMM-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide (CID 21034325) is N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide is CC(C)N(C1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is DXMHVIHTTZXPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)10(14(3,11)12)9-4-6-13-7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide?
N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 21034325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).