N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide

C10H23NO4S — CID 88991752

IUPACN-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide
SMILESCC(OC(O)CN(C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO4S/c1-8(10(2,3)4)15-9(12)7-11(5)16(6,13)14/h8-9,12H,7H2,1-6H3
InChIKeyGKOLSMIFLSMDHR-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide

N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide (PubChem CID 88991752) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide
PubChem CID88991752
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide
SMILESCC(OC(O)CN(C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO4S/c1-8(10(2,3)4)15-9(12)7-11(5)16(6,13)14/h8-9,12H,7H2,1-6H3
InChIKeyGKOLSMIFLSMDHR-UHFFFAOYSA-N
XLogP0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide (CID 88991752) is N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide is CC(OC(O)CN(C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide?
The InChIKey is GKOLSMIFLSMDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-8(10(2,3)4)15-9(12)7-11(5)16(6,13)14/h8-9,12H,7H2,1-6H3.
What are the key properties of N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide?
N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide has a molecular weight of 253.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutan-2-yloxy)-2-hydroxyethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 88991752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).