N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide

C11H25NO3S — CID 71848189

IUPACN-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-5-10(13)6-8-12-16(14,15)9-7-11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyXFZFBXKTVITJEN-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.50
Rot. Bonds7

About N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide

N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 71848189) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID71848189
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-5-10(13)6-8-12-16(14,15)9-7-11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyXFZFBXKTVITJEN-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide
CID 115747194
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106286721
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103684499
9,9-dimethyldecan-3-ol
CID 156689502
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide (CID 71848189) is N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide is CCC(O)CCNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is XFZFBXKTVITJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-10(13)6-8-12-16(14,15)9-7-11(2,3)4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 71848189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).