N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide

C9H21NO3S — CID 20793028

IUPACN-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCC(C)(C)CCN(CCO)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-9(2,3)5-6-10(7-8-11)14(4,12)13/h11H,5-8H2,1-4H3
InChIKeyCUZDNKFJVCDJDN-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.68
Rot. Bonds5

About N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide

N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 20793028) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID20793028
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCC(C)(C)CCN(CCO)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-9(2,3)5-6-10(7-8-11)14(4,12)13/h11H,5-8H2,1-4H3
InChIKeyCUZDNKFJVCDJDN-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(3-hydroxypropyl)methanesulfonamide
CID 20746482
2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol
CID 84589913
N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine
CID 143354901
N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
CID 18736075
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide
CID 82842151
N-(2-hydroxyethyl)methanesulfonohydrazide
CID 138600625
2-[dipropylsulfamoyl(2-hydroxyethyl)amino]ethanol
CID 61233822
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
N-tert-butyl-N-(1-hydroxy-5,5-dimethylhexan-2-yl)methanesulfonamide
CID 88980840
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide
CID 111439973

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide (CID 20793028) is N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide is CC(C)(C)CCN(CCO)S(C)(=O)=O.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is CUZDNKFJVCDJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-9(2,3)5-6-10(7-8-11)14(4,12)13/h11H,5-8H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide?
N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 20793028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).