2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide

C10H23NO3S — CID 146601609

IUPAC2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide
SMILESCC(C)CCOCCS(=O)(=O)NC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)5-6-14-7-8-15(12,13)11-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyRNRQMICYQUSFNM-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.38
Rot. Bonds8

About 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide

2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide (PubChem CID 146601609) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide
PubChem CID146601609
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide
SMILESCC(C)CCOCCS(=O)(=O)NC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)5-6-14-7-8-15(12,13)11-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyRNRQMICYQUSFNM-UHFFFAOYSA-N
XLogP1.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide?
The IUPAC name of 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide (CID 146601609) is 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide is CC(C)CCOCCS(=O)(=O)NC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide?
The InChIKey is RNRQMICYQUSFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)5-6-14-7-8-15(12,13)11-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide?
2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 146601609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).