N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide

C8H17NO4S — CID 11593774

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C8H17NO4S/c1-8(2,3)14(11,12)9-6-4-13-5-7(6)10/h6-7,9-10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyBIIAZXYRHCSZRW-RNFRBKRXSA-N
MW223.29 g/mol
LogP-0.54
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide (PubChem CID 11593774) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide
PubChem CID11593774
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C8H17NO4S/c1-8(2,3)14(11,12)9-6-4-13-5-7(6)10/h6-7,9-10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyBIIAZXYRHCSZRW-RNFRBKRXSA-N
XLogP-0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196244
N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
CID 67196245
trans-N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196247
trans-4-[(Isopropylsulfonyl)amino]tetrahydrofuran-3-yl methanesulfonate
CID 86653047
[(3R,4S)-4-(propan-2-ylsulfonylamino)oxolan-3-yl] methanesulfonate
CID 87305054
[4-(Propan-2-ylsulfonylamino)oxolan-3-yl] methanesulfonate
CID 87305055
N-(4-hydroxyoxolan-3-yl)-2-methylpropane-2-sulfonamide
CID 73023191
N-(1-hydroxy-3-methoxypropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 105651823
3-hydroxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide
CID 105990132
4-hydroxy-N-(2-methyloxolan-3-yl)butane-1-sulfonamide
CID 105990160
1-hydroxy-N-(2-methyloxolan-3-yl)propane-2-sulfonamide
CID 105990166
N-(4-hydroxyoxolan-3-yl)cyclopropanesulfonamide
CID 126991299

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide (CID 11593774) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@@H]1COC[C@H]1O.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is BIIAZXYRHCSZRW-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(2,3)14(11,12)9-6-4-13-5-7(6)10/h6-7,9-10H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 11593774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).