2-cyclopropyl-2-hydroxyethanesulfonamide

C5H11NO3S — CID 115013055

IUPAC2-cyclopropyl-2-hydroxyethanesulfonamide
SMILESNS(=O)(=O)CC(O)C1CC1
InChIInChI=1S/C5H11NO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2,(H2,6,8,9)
InChIKeyKERLGRSTUNLNHH-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.95
Rot. Bonds3

About 2-cyclopropyl-2-hydroxyethanesulfonamide

2-cyclopropyl-2-hydroxyethanesulfonamide (PubChem CID 115013055) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxyethanesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxyethanesulfonamide
PubChem CID115013055
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name2-cyclopropyl-2-hydroxyethanesulfonamide
SMILESNS(=O)(=O)CC(O)C1CC1
InChIInChI=1S/C5H11NO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2,(H2,6,8,9)
InChIKeyKERLGRSTUNLNHH-UHFFFAOYSA-N
XLogP-0.95
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-2-hydroxyethanesulfonyl fluoride
CID 115013397
2-(Hydroxymethyl)butane-1-sulfonamide
CID 10702240
[1-(Hydroxymethyl)cyclopropyl]methanesulfonamide
CID 10749560
4-Hydroxypentane-1-sulfonamide
CID 18467557
2-Hydroxypentane-1-sulfonamide
CID 18467624
1-(2-Hydroxyethyl)cyclopropane-1-sulfonamide
CID 68107902
(2R)-2-(hydroxymethyl)butane-1-sulfonamide
CID 139836573
3-Hydroxy-2-methylhexane-1-sulfonamide
CID 141766838
(4S)-4-hydroxypentane-2-sulfonamide
CID 172784459
2-[1-(Hydroxymethyl)cyclopropyl]ethanesulfonamide
CID 176280466
2-Cyclopropyl-2-hydroxyethanesulfonic acid
CID 115013162
2-Hydroxy-3-methylbutane-1-sulfonamide
CID 115013313

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxyethanesulfonamide?
The IUPAC name of 2-cyclopropyl-2-hydroxyethanesulfonamide (CID 115013055) is 2-cyclopropyl-2-hydroxyethanesulfonamide.
What is the SMILES notation for 2-cyclopropyl-2-hydroxyethanesulfonamide?
The canonical SMILES for 2-cyclopropyl-2-hydroxyethanesulfonamide is NS(=O)(=O)CC(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxyethanesulfonamide?
The InChIKey is KERLGRSTUNLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2,(H2,6,8,9).
What are the key properties of 2-cyclopropyl-2-hydroxyethanesulfonamide?
2-cyclopropyl-2-hydroxyethanesulfonamide has a molecular weight of 165.21 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxyethanesulfonamide is sourced from PubChem (CID 115013055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).