N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide

C10H21NO5S — CID 97085411

IUPACN-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC[C@@H]1CCOCO1
InChIInChI=1S/C10H21NO5S/c1-9(2)15-5-6-17(12,13)11-7-10-3-4-14-8-16-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyONAYIBJVHHVCEQ-JTQLQIEISA-N
MW267.35 g/mol
LogP0.09
Rot. Bonds7

About N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide

N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 97085411) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID97085411
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC NameN-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC[C@@H]1CCOCO1
InChIInChI=1S/C10H21NO5S/c1-9(2)15-5-6-17(12,13)11-7-10-3-4-14-8-16-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyONAYIBJVHHVCEQ-JTQLQIEISA-N
XLogP0.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(morpholin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593928
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
N-(piperidin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593606
N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600162
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide
CID 97076546
N-[3-(1,3-dioxan-4-ylmethylamino)propyl]methanesulfonamide
CID 106336749
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide (CID 97085411) is N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC[C@@H]1CCOCO1.
What is the InChIKey of N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is ONAYIBJVHHVCEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO5S/c1-9(2)15-5-6-17(12,13)11-7-10-3-4-14-8-16-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide?
N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 97085411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).