N-tert-butylpent-4-ene-1-sulfonamide

C9H19NO2S — CID 18467632

IUPACN-tert-butylpent-4-ene-1-sulfonamide
SMILESC=CCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-5-6-7-8-13(11,12)10-9(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyRVQWGZGUBWAFFS-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.67
Rot. Bonds5

About N-tert-butylpent-4-ene-1-sulfonamide

N-tert-butylpent-4-ene-1-sulfonamide (PubChem CID 18467632) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-tert-butylpent-4-ene-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylpent-4-ene-1-sulfonamide
PubChem CID18467632
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-tert-butylpent-4-ene-1-sulfonamide
SMILESC=CCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-5-6-7-8-13(11,12)10-9(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyRVQWGZGUBWAFFS-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpent-4-ene-1-sulfonamide?
The IUPAC name of N-tert-butylpent-4-ene-1-sulfonamide (CID 18467632) is N-tert-butylpent-4-ene-1-sulfonamide.
What is the SMILES notation for N-tert-butylpent-4-ene-1-sulfonamide?
The canonical SMILES for N-tert-butylpent-4-ene-1-sulfonamide is C=CCCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylpent-4-ene-1-sulfonamide?
The InChIKey is RVQWGZGUBWAFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-6-7-8-13(11,12)10-9(2,3)4/h5,10H,1,6-8H2,2-4H3.
What are the key properties of N-tert-butylpent-4-ene-1-sulfonamide?
N-tert-butylpent-4-ene-1-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpent-4-ene-1-sulfonamide is sourced from PubChem (CID 18467632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).