N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide

C8H19NO4S — CID 83029580

IUPACN-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC[C@H](C)O
InChIInChI=1S/C8H19NO4S/c1-7(2)13-4-5-14(11,12)9-6-8(3)10/h7-10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyPPDAMUMDHPYHSZ-QMMMGPOBSA-N
MW225.31 g/mol
LogP-0.29
Rot. Bonds7

About N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide

N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 83029580) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID83029580
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC[C@H](C)O
InChIInChI=1S/C8H19NO4S/c1-7(2)13-4-5-14(11,12)9-6-8(3)10/h7-10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyPPDAMUMDHPYHSZ-QMMMGPOBSA-N
XLogP-0.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
CID 107258283
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
CID 71911079
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
CID 104858720
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide (CID 83029580) is N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC[C@H](C)O.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is PPDAMUMDHPYHSZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-7(2)13-4-5-14(11,12)9-6-8(3)10/h7-10H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide?
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 83029580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).