N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide

C9H21NO3S — CID 106125748

IUPACN-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
SMILESCC(O)CCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO3S/c1-8(11)6-5-7-10-14(12,13)9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeySMZSUSJVQKPTRL-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.87
Rot. Bonds5

About N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide

N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide (PubChem CID 106125748) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
PubChem CID106125748
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
SMILESCC(O)CCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO3S/c1-8(11)6-5-7-10-14(12,13)9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeySMZSUSJVQKPTRL-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
2-(4-hydroxypentylsulfamoyl)acetic acid
CID 106120521
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 106125984
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide
CID 101267758
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide (CID 106125748) is N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide is CC(O)CCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide?
The InChIKey is SMZSUSJVQKPTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(11)6-5-7-10-14(12,13)9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide?
N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 106125748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).