N-tert-butylpentane-1-sulfonamide

C9H21NO2S — CID 58422180

IUPACN-tert-butylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-5-6-7-8-13(11,12)10-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyVXIRLHQKKUGTSQ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.89
Rot. Bonds5

About N-tert-butylpentane-1-sulfonamide

N-tert-butylpentane-1-sulfonamide (PubChem CID 58422180) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-tert-butylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylpentane-1-sulfonamide
PubChem CID58422180
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-tert-butylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-5-6-7-8-13(11,12)10-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyVXIRLHQKKUGTSQ-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butylpentane-1-sulfonamide?
The IUPAC name of N-tert-butylpentane-1-sulfonamide (CID 58422180) is N-tert-butylpentane-1-sulfonamide.
What is the SMILES notation for N-tert-butylpentane-1-sulfonamide?
The canonical SMILES for N-tert-butylpentane-1-sulfonamide is CCCCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylpentane-1-sulfonamide?
The InChIKey is VXIRLHQKKUGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-6-7-8-13(11,12)10-9(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of N-tert-butylpentane-1-sulfonamide?
N-tert-butylpentane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpentane-1-sulfonamide is sourced from PubChem (CID 58422180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).