2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid

C8H15NO5S — CID 114755967

IUPAC2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1(CCO)CC1
InChIInChI=1S/C8H15NO5S/c10-4-3-8(1-2-8)6-9-15(13,14)5-7(11)12/h9-10H,1-6H2,(H,11,12)
InChIKeyDAFACBWBPOZPNW-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.85
Rot. Bonds7

About 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid

2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid (PubChem CID 114755967) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
PubChem CID114755967
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1(CCO)CC1
InChIInChI=1S/C8H15NO5S/c10-4-3-8(1-2-8)6-9-15(13,14)5-7(11)12/h9-10H,1-6H2,(H,11,12)
InChIKeyDAFACBWBPOZPNW-UHFFFAOYSA-N
XLogP-0.85
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
3-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoylmethyl]benzoic acid
CID 114755957
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
2-(1-adamantylmethylsulfamoyl)acetic acid
CID 43173102
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]butanoic acid
CID 114756436
4-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 114755952
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 114749847
2-bromo-5-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]benzoic acid
CID 114755973
4-bromo-3-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]benzoic acid
CID 114755990
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 114749922
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid?
The IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid (CID 114755967) is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCC1(CCO)CC1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid?
The InChIKey is DAFACBWBPOZPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c10-4-3-8(1-2-8)6-9-15(13,14)5-7(11)12/h9-10H,1-6H2,(H,11,12).
What are the key properties of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid?
2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid has a molecular weight of 237.28 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid is sourced from PubChem (CID 114755967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).