N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide

C11H25NO3S — CID 71787606

IUPACN-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-9-16(14,15)12-8-7-10(13)11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyCVLKTWAXNNRFMB-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.50
Rot. Bonds7

About N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide

N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide (PubChem CID 71787606) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
PubChem CID71787606
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-9-16(14,15)12-8-7-10(13)11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyCVLKTWAXNNRFMB-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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide (CID 71787606) is N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCC(O)C(C)(C)C.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide?
The InChIKey is CVLKTWAXNNRFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-6-9-16(14,15)12-8-7-10(13)11(2,3)4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide?
N-(3-hydroxy-4,4-dimethylpentyl)butane-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-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide is sourced from PubChem (CID 71787606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).