N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide

C10H23NO3S — CID 56794319

IUPACN-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-5-6-15(13,14)11-8-9(12)7-10(2,3)4/h9,11-12H,5-8H2,1-4H3
InChIKeyRMTMEVJWTBQOLN-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.11
Rot. Bonds6

About N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide

N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide (PubChem CID 56794319) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
PubChem CID56794319
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-5-6-15(13,14)11-8-9(12)7-10(2,3)4/h9,11-12H,5-8H2,1-4H3
InChIKeyRMTMEVJWTBQOLN-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanesulfonamide
CID 71787605
3-(1,1-Dimethyl-2-hydroxyethyl)-amino-2-hydroxypropane sulfonic acid
CID 129844339
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide
CID 95984653
1,1-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103835458
4,4,4-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
CID 103943160
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-(2-hydroxy-3,3-dimethylbutyl)propane-1-sulfonamide
CID 112407123
3-fluoro-N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide
CID 112408276
3-fluoro-N-(3-hydroxy-4-methylpentyl)propane-1-sulfonamide
CID 112409243
4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide
CID 113356070
N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide
CID 56795003

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide (CID 56794319) is N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide?
The InChIKey is RMTMEVJWTBQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-6-15(13,14)11-8-9(12)7-10(2,3)4/h9,11-12H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide is sourced from PubChem (CID 56794319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).