N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide

C7H17NO4S — CID 66177542

IUPACN-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(O)CO
InChIInChI=1S/C7H17NO4S/c1-7(2,3)13(11,12)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3
InChIKeyIURKIZJDBKALJD-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.94
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide

N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide (PubChem CID 66177542) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
PubChem CID66177542
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(O)CO
InChIInChI=1S/C7H17NO4S/c1-7(2,3)13(11,12)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3
InChIKeyIURKIZJDBKALJD-UHFFFAOYSA-N
XLogP-0.94
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide (CID 66177542) is N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide?
The InChIKey is IURKIZJDBKALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-7(2,3)13(11,12)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3.
What are the key properties of N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide?
N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 66177542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).