N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide

C9H19NO2S — CID 121481055

IUPACN-(3,3,4-trimethylpent-4-enyl)methanesulfonamide
SMILESC=C(C)C(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)9(3,4)6-7-10-13(5,11)12/h10H,1,6-7H2,2-5H3
InChIKeyHJMXJGVQQLYRFH-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.53
Rot. Bonds5

About N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide

N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide (PubChem CID 121481055) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3,4-trimethylpent-4-enyl)methanesulfonamide
PubChem CID121481055
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(3,3,4-trimethylpent-4-enyl)methanesulfonamide
SMILESC=C(C)C(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)9(3,4)6-7-10-13(5,11)12/h10H,1,6-7H2,2-5H3
InChIKeyHJMXJGVQQLYRFH-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide?
The IUPAC name of N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide (CID 121481055) is N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide.
What is the SMILES notation for N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide?
The canonical SMILES for N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide is C=C(C)C(C)(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide?
The InChIKey is HJMXJGVQQLYRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)9(3,4)6-7-10-13(5,11)12/h10H,1,6-7H2,2-5H3.
What are the key properties of N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide?
N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide is sourced from PubChem (CID 121481055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).