N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide

C10H23NO3S — CID 90523463

IUPACN-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-8(2)15(13,14)11-7-6-9(12)10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyLSTVMCTYEYPBCU-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.11
Rot. Bonds5

About N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide

N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide (PubChem CID 90523463) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
PubChem CID90523463
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-8(2)15(13,14)11-7-6-9(12)10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyLSTVMCTYEYPBCU-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide (CID 90523463) is N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC(O)C(C)(C)C.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide?
The InChIKey is LSTVMCTYEYPBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-8(2)15(13,14)11-7-6-9(12)10(3,4)5/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide?
N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.11, 5 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)propane-2-sulfonamide is sourced from PubChem (CID 90523463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).