2-methyl-5-methylsulfonylpent-2-en-1-amine

C7H15NO2S — CID 103392241

IUPAC2-methyl-5-methylsulfonylpent-2-en-1-amine
SMILESCC(=CCCS(C)(=O)=O)CN
InChIInChI=1S/C7H15NO2S/c1-7(6-8)4-3-5-11(2,9)10/h4H,3,5-6,8H2,1-2H3
InChIKeyRRPGKDOREGXYEF-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.33
Rot. Bonds4

About 2-methyl-5-methylsulfonylpent-2-en-1-amine

2-methyl-5-methylsulfonylpent-2-en-1-amine (PubChem CID 103392241) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonylpent-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-5-methylsulfonylpent-2-en-1-amine
PubChem CID103392241
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methyl-5-methylsulfonylpent-2-en-1-amine
SMILESCC(=CCCS(C)(=O)=O)CN
InChIInChI=1S/C7H15NO2S/c1-7(6-8)4-3-5-11(2,9)10/h4H,3,5-6,8H2,1-2H3
InChIKeyRRPGKDOREGXYEF-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-methylsulfonylpent-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dimethylocta-2,7-dien-1-amine
CID 550648
N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
CID 79598076
4-methyl-7-methylsulfonyl-N-propylhept-3-en-1-amine
CID 79599261
N-(2-methoxyethyl)-4-methyl-6-methylsulfonylhex-3-en-1-amine
CID 79607920
2,5,5-trimethylhex-2-en-1-amine
CID 103392273
4-methyl-N-(2-methylpropyl)-7-methylsulfonylhept-3-en-1-amine
CID 79607990
(Z)-3-methyl-1-methylsulfonylpent-2-ene
CID 143970798
2-methylhex-2-en-5-yn-1-amine
CID 103392278
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
(2Z)-6-methoxy-2-methylocta-2,7-dien-1-amine
CID 144515472
(2S)-2-amino-4-methylsulfonylbutanal
CID 87872241
(E)-1-chloro-2-methyl-4-methylsulfonylbut-2-ene
CID 12572206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonylpent-2-en-1-amine?
The IUPAC name of 2-methyl-5-methylsulfonylpent-2-en-1-amine (CID 103392241) is 2-methyl-5-methylsulfonylpent-2-en-1-amine.
What is the SMILES notation for 2-methyl-5-methylsulfonylpent-2-en-1-amine?
The canonical SMILES for 2-methyl-5-methylsulfonylpent-2-en-1-amine is CC(=CCCS(C)(=O)=O)CN.
What is the InChIKey of 2-methyl-5-methylsulfonylpent-2-en-1-amine?
The InChIKey is RRPGKDOREGXYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(6-8)4-3-5-11(2,9)10/h4H,3,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfonylpent-2-en-1-amine?
2-methyl-5-methylsulfonylpent-2-en-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonylpent-2-en-1-amine is sourced from PubChem (CID 103392241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).