N-(4-hydroxybutan-2-yl)ethanesulfonamide

C6H15NO3S — CID 78998775

IUPACN-(4-hydroxybutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)CCO
InChIInChI=1S/C6H15NO3S/c1-3-11(9,10)7-6(2)4-5-8/h6-8H,3-5H2,1-2H3
InChIKeyRDQKXKZQRFZUQM-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.30
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)ethanesulfonamide

N-(4-hydroxybutan-2-yl)ethanesulfonamide (PubChem CID 78998775) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)ethanesulfonamide
PubChem CID78998775
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(4-hydroxybutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)CCO
InChIInChI=1S/C6H15NO3S/c1-3-11(9,10)7-6(2)4-5-8/h6-8H,3-5H2,1-2H3
InChIKeyRDQKXKZQRFZUQM-UHFFFAOYSA-N
XLogP-0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
N-butan-2-ylethanesulfonamide
CID 5091177
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395
1-bromo-N-(5-hydroxypentan-2-yl)methanesulfonamide
CID 83086597
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide
CID 102174654
(E)-2,3-bis[(2S)-2-(ethylsulfonylamino)propyl]but-2-enedioic acid
CID 126483399
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
3-(ethylamino)butan-1-ol
CID 12636119
1-hydroxy-4-(sulfamoylamino)pentane
CID 112698307

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)ethanesulfonamide (CID 78998775) is N-(4-hydroxybutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)ethanesulfonamide?
The InChIKey is RDQKXKZQRFZUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-3-11(9,10)7-6(2)4-5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(4-hydroxybutan-2-yl)ethanesulfonamide?
N-(4-hydroxybutan-2-yl)ethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 78998775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).