N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide

C8H19NO3S — CID 71787604

IUPACN-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)C(O)CCNS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-8(2,3)7(10)5-6-9-13(4,11)12/h7,9-10H,5-6H2,1-4H3
InChIKeyOYDLIUTWALSOSC-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.33
Rot. Bonds4

About N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide

N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide (PubChem CID 71787604) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide
PubChem CID71787604
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)C(O)CCNS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-8(2,3)7(10)5-6-9-13(4,11)12/h7,9-10H,5-6H2,1-4H3
InChIKeyOYDLIUTWALSOSC-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanesulfonamide
CID 71787605
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide
CID 95984653
1,1-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103835458
1,1,1-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 107155359
3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide
CID 109379658
3-fluoro-N-(3-hydroxy-4-methylpentyl)propane-1-sulfonamide
CID 112409243
N-(3-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
CID 71787606
N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide
CID 56794318
N-(2-hydroxy-4,4-dimethylpentyl)cyclopropanesulfonamide
CID 59636930
N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 72005120
N-(4-hydroxy-3,3,5,5-tetramethylhexyl)methanesulfonamide
CID 144372160
N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide (CID 71787604) is N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide is CC(C)(C)C(O)CCNS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The InChIKey is OYDLIUTWALSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(2,3)7(10)5-6-9-13(4,11)12/h7,9-10H,5-6H2,1-4H3.
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.33, 4 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)methanesulfonamide is sourced from PubChem (CID 71787604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).