N-(1-hydroxypropan-2-yl)butane-1-sulfonamide

C7H17NO3S — CID 43502189

IUPACN-(1-hydroxypropan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)CO
InChIInChI=1S/C7H17NO3S/c1-3-4-5-12(10,11)8-7(2)6-9/h7-9H,3-6H2,1-2H3
InChIKeyPDALEIWOQOOKCD-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.09
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)butane-1-sulfonamide

N-(1-hydroxypropan-2-yl)butane-1-sulfonamide (PubChem CID 43502189) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)butane-1-sulfonamide
PubChem CID43502189
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(1-hydroxypropan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)CO
InChIInChI=1S/C7H17NO3S/c1-3-4-5-12(10,11)8-7(2)6-9/h7-9H,3-6H2,1-2H3
InChIKeyPDALEIWOQOOKCD-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide
CID 117063206
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
CID 93038199
(2R)-2-(butylsulfonylamino)propanoate
CID 2447741
N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
CID 79027401
methyl 4-(hexan-2-ylsulfamoyl)butanoate
CID 62200961
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
N-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810
3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
CID 64982777
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
1-cyclopropyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 64987940

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)butane-1-sulfonamide (CID 43502189) is N-(1-hydroxypropan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)butane-1-sulfonamide?
The InChIKey is PDALEIWOQOOKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-3-4-5-12(10,11)8-7(2)6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)butane-1-sulfonamide?
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide has a molecular weight of 195.28 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-hydroxypropan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 43502189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).