N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide

C10H23NO3S — CID 111439973

IUPACN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCO)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-5-15(13,14)11(7-6-8-12)9-10(2,3)4/h12H,5-9H2,1-4H3
InChIKeyHRBQVWKSVRMFOM-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.07
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide

N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide (PubChem CID 111439973) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide
PubChem CID111439973
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCO)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-5-15(13,14)11(7-6-8-12)9-10(2,3)4/h12H,5-9H2,1-4H3
InChIKeyHRBQVWKSVRMFOM-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol
CID 84589913
N,N-bis(3-hydroxypropyl)methanesulfonamide
CID 20746482
2-[heptyl(3-hydroxypropyl)sulfamoyl]acetic acid
CID 55028849
N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
CID 103521342
N,N-dipentylethanesulfonamide
CID 3453334
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
3-[butylsulfonyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82326460
pentan-1-ol;sulfuric acid
CID 87844098
3-[tert-butyl(ethyl)amino]propan-1-ol
CID 138079476

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide (CID 111439973) is N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide is CCS(=O)(=O)N(CCCO)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide?
The InChIKey is HRBQVWKSVRMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-15(13,14)11(7-6-8-12)9-10(2,3)4/h12H,5-9H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide?
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide is sourced from PubChem (CID 111439973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).