[5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid

C9H13NO4S2 — CID 175837286

IUPAC[5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(=O)O)s1
InChIInChI=1S/C9H13NO4S2/c1-6(2)5-7-3-4-8(15-7)16(13,14)10-9(11)12/h3-4,6,10H,5H2,1-2H3,(H,11,12)
InChIKeyHSTXULCWCGZXAZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds4

About [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid

[5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid (PubChem CID 175837286) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid.

Molecular Properties

Compound Name[5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid
PubChem CID175837286
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name[5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(=O)O)s1
InChIInChI=1S/C9H13NO4S2/c1-6(2)5-7-3-4-8(15-7)16(13,14)10-9(11)12/h3-4,6,10H,5H2,1-2H3,(H,11,12)
InChIKeyHSTXULCWCGZXAZ-UHFFFAOYSA-N
XLogP1.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-methylpropanamide
CID 106266251
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea
CID 6611564

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid?
The IUPAC name of [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid (CID 175837286) is [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid.
What is the SMILES notation for [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid?
The canonical SMILES for [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid is CC(C)Cc1ccc(S(=O)(=O)NC(=O)O)s1.
What is the InChIKey of [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid?
The InChIKey is HSTXULCWCGZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-6(2)5-7-3-4-8(15-7)16(13,14)10-9(11)12/h3-4,6,10H,5H2,1-2H3,(H,11,12).
What are the key properties of [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid?
[5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid has a molecular weight of 263.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamic acid is sourced from PubChem (CID 175837286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).