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

C10H21NO3S — CID 21034326

IUPACN-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(2)11(15(3,12)13)8-10-4-6-14-7-5-10/h9-10H,4-8H2,1-3H3
InChIKeySNQKYJGWEUFCPU-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.08
Rot. Bonds4

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

N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 21034326) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID21034326
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(2)11(15(3,12)13)8-10-4-6-14-7-5-10/h9-10H,4-8H2,1-3H3
InChIKeySNQKYJGWEUFCPU-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide (CID 21034326) is N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CC1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is SNQKYJGWEUFCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)11(15(3,12)13)8-10-4-6-14-7-5-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 21034326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).