N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide

C10H17NO3S2 — CID 43501825

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CO)c(C)s1
InChIInChI=1S/C10H17NO3S2/c1-7-5-9(8(2)15-7)16(13,14)11-10(3,4)6-12/h5,11-12H,6H2,1-4H3
InChIKeyPBWCKAFJSWXDAU-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.41
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 43501825) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID43501825
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CO)c(C)s1
InChIInChI=1S/C10H17NO3S2/c1-7-5-9(8(2)15-7)16(13,14)11-10(3,4)6-12/h5,11-12H,6H2,1-4H3
InChIKeyPBWCKAFJSWXDAU-UHFFFAOYSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide (CID 43501825) is N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)CO)c(C)s1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is PBWCKAFJSWXDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-7-5-9(8(2)15-7)16(13,14)11-10(3,4)6-12/h5,11-12H,6H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 263.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 43501825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).