N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide

C8H17NO3S — CID 114749822

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(CCO)CC1
InChIInChI=1S/C8H17NO3S/c1-2-13(11,12)9-7-8(3-4-8)5-6-10/h9-10H,2-7H2,1H3
InChIKeyPHYZOTYXIFCVNK-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.09
Rot. Bonds6

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide (PubChem CID 114749822) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
PubChem CID114749822
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(CCO)CC1
InChIInChI=1S/C8H17NO3S/c1-2-13(11,12)9-7-8(3-4-8)5-6-10/h9-10H,2-7H2,1H3
InChIKeyPHYZOTYXIFCVNK-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
CID 114755967
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 114749847
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
3-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoylmethyl]benzoic acid
CID 114755957
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide
CID 131933547
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
CID 115456556
4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755685
4-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 114755952
3-amino-2,4-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 107343940
4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide (CID 114749822) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(CCO)CC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide?
The InChIKey is PHYZOTYXIFCVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-13(11,12)9-7-8(3-4-8)5-6-10/h9-10H,2-7H2,1H3.
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide is sourced from PubChem (CID 114749822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).